2PKC
 
 | | CRYSTAL STRUCTURE OF CALCIUM-FREE PROTEINASE K AT 1.5 ANGSTROMS RESOLUTION | | Descriptor: | PROTEINASE K, SODIUM ION | | Authors: | Mueller, A, Hinrichs, W, Wolf, W.M, Saenger, W. | | Deposit date: | 1993-06-04 | | Release date: | 1994-01-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of calcium-free proteinase K at 1.5-A resolution.
J.Biol.Chem., 269, 1994
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2PLA
 | | Crystal structure of human glycerol-3-phosphate dehydrogenase 1-like protein | | Descriptor: | CHLORIDE ION, Glycerol-3-phosphate dehydrogenase 1-like protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Uppenberg, J, Smee, C, Hozjan, V, Kavanagh, K, Bunkoczi, G, Papagrigoriou, E, Pike, A.C.W, Ugochukwu, E, Umeano, C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-04-19 | | Release date: | 2007-05-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Crystal structure of human glycerol-3-phosphate dehydrogenase 1-like protein.
To be Published
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2PTW
 | | Crystal Structure of the T. brucei enolase complexed with sulphate, identification of a metal binding site IV | | Descriptor: | 1,2-ETHANEDIOL, Enolase, SULFATE ION, ... | | Authors: | Navarro, M.V.A.S, Rigden, D.J, Garratt, R.C, Dias, S.M.G. | | Deposit date: | 2007-05-08 | | Release date: | 2007-11-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics.
Febs J., 274, 2007
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2Q27
 | | Crystal structure of oxalyl-coA decarboxylase from Escherichia coli | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ... | | Authors: | Werther, T, Zimmer, A, Wille, G, Hubner, G, Weiss, M.S, Konig, S. | | Deposit date: | 2007-05-26 | | Release date: | 2008-06-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | New insights into structure-function relationships of oxalyl CoA decarboxylase from Escherichia coli.
Febs J., 277, 2010
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2PSU
 | | Crystal Structure of wild type HIV-1 protease in complex with CARB-AD37 | | Descriptor: | ACETATE ION, N-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYLMETHYL)[(3-METHOXYPHENYL)SULFONYL]AMINO}-2-HYDROXYPROPYL]-N'-METHYLSUCCINAMIDE, PHOSPHATE ION, ... | | Authors: | Schiffer, C.A, Nalam, M.N.L. | | Deposit date: | 2007-05-07 | | Release date: | 2007-06-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Design of Mutation-resistant HIV Protease Inhibitors with the Substrate Envelope Hypothesis.
Chem.Biol.Drug Des., 69, 2007
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2PVT
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2PU0
 | | Crystal Structure of the T. brucei enolase complexed with phosphonoacetohydroxamate (PAH), His156-in conformation | | Descriptor: | 1,2-ETHANEDIOL, Enolase, PHOSPHONOACETOHYDROXAMIC ACID, ... | | Authors: | Navarro, M.V.A.S, Rigden, D.J, Garratt, R.C, Dias, S.M.G. | | Deposit date: | 2007-05-08 | | Release date: | 2007-11-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics.
Febs J., 274, 2007
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3WNM
 | | D308A mutant of Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase complexed with isomaltoheptaose | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Cycloisomaltooligosaccharide glucanotransferase, ... | | Authors: | Suzuki, N, Fujimoto, Z, Kim, Y.M, Momma, M, Kishine, N, Suzuki, R, Suzuki, S, Kitamura, S, Kobayashi, M, Kimura, A, Funane, K. | | Deposit date: | 2013-12-10 | | Release date: | 2014-02-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural elucidation of the cyclization mechanism of alpha-1,6-glucan by Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase.
J.Biol.Chem., 289, 2014
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1T32
 | | A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation | | Descriptor: | 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, Cathepsin G, SULFATE ION | | Authors: | de Garavilla, L, Greco, M.N, Giardino, E.C, Wells, G.I, Haertlein, B.J, Kauffman, J.A, Corcoran, T.W, Derian, C.K, Eckardt, A.J, Abraham, W.M, Sukumar, N, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E, Andrade-Gordon, P, Damiano, B.P, Maryanoff, B.E. | | Deposit date: | 2004-04-23 | | Release date: | 2005-03-01 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo.
J.Biol.Chem., 280, 2005
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2YFT
 | | Crystal structure of inulosucrase from Lactobacillus johnsonii NCC533 in complex with 1-kestose | | Descriptor: | ACETATE ION, CALCIUM ION, LEVANSUCRASE, ... | | Authors: | Pijning, T, Anwar, M.A, Leemhuis, H, Kralj, S, Dijkhuizen, L, Dijkstra, B.W. | | Deposit date: | 2011-04-07 | | Release date: | 2011-08-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of Inulosucrase from Lactobacillus: Insights Into the Substrate Specificity and Product Specificity of Gh68 Fructansucrases.
J.Mol.Biol., 412, 2011
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4G2Z
 | | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Mefenamic acid at 1.90 A Resolution | | Descriptor: | 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Shukla, P.K, Gautam, L, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2012-07-13 | | Release date: | 2012-08-01 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Mefenamic acid at 1.90 A Resolution
To be Published
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2GIX
 | | Cytoplasmic Domain Structure of Kir2.1 containing Andersen's Mutation R218Q and Rescue Mutation T309K | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Inward rectifier potassium channel 2, POTASSIUM ION | | Authors: | Pegan, S, Arrabit, C, Slesinger, P.A, Choe, S. | | Deposit date: | 2006-03-29 | | Release date: | 2006-07-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Andersen's Syndrome Mutation Effects on the Structure and Assembly of the Cytoplasmic Domains of Kir2.1.
Biochemistry, 45, 2006
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2C2O
 | | Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors. | | Descriptor: | AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-14-{4-[BENZYL(METHYL) AMINO]-4-OXOBUTANOYL}-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-11-(1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN-16-OIC ACID, ... | | Authors: | Ganesan, R, Jelakovic, S, Ekici, O.D, Li, Z.Z, James, K.E, Asgian, J.L, Campbell, A, Mikolajczyk, J, Salvesen, G.S, Gruetter, M.G, Powers, J.C. | | Deposit date: | 2005-09-29 | | Release date: | 2006-09-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10.
J.Med.Chem., 49, 2006
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2YL9
 | | INHIBITION OF THE PNEUMOCOCCAL VIRULENCE FACTOR STRH AND MOLECULAR INSIGHTS INTO N-GLYCAN RECOGNITION AND HYDROLYSIS | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-N-ACETYLHEXOSAMINIDASE | | Authors: | Pluvinage, B, Higgins, M.A, Abbott, D.W, Robb, C, Dalia, A.B, Deng, L, Weiser, J.N, Parsons, T.B, Fairbanks, A.J, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2011-06-01 | | Release date: | 2011-09-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis.
Structure, 19, 2011
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2BIY
 | | Structure of PDK1-S241A mutant kinase domain | | Descriptor: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | | Authors: | Komander, D, Kular, G.S, Deak, M, Alessi, D.R, van Aalten, D.M.F. | | Deposit date: | 2005-01-26 | | Release date: | 2005-02-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Role of T-loop phosphorylation in PDK1 activation, stability, and substrate binding.
J. Biol. Chem., 280, 2005
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4MHH
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7D4B
 | | Crystal structure of 4-1BB in complex with a VHH | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Wang, C. | | Deposit date: | 2020-09-23 | | Release date: | 2021-07-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.14 Å) | | Cite: | Generation of a safe and efficacious llama single-domain antibody fragment (vHH) targeting the membrane-proximal region of 4-1BB for engineering therapeutic bispecific antibodies for cancer.
J Immunother Cancer, 9, 2021
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3NP7
 | | Glycogen phosphorylase complexed with 2,5-dihydroxy-3-(beta-D-glucopyranosyl)-chlorobenzene and 2,5-dihydroxy-4-(beta-D-glucopyranosyl)-chlorobenzene | | Descriptor: | (1S)-1,5-anhydro-1-(3-chloro-2,5-dihydroxyphenyl)-D-glucitol, (1S)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-D-glucitol, Glycogen phosphorylase, ... | | Authors: | Alexacou, K.-M. | | Deposit date: | 2010-06-28 | | Release date: | 2011-06-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Halogen-substituted (C-beta-D-glucopyranosyl)-hydroquinone regioisomers: synthesis, enzymatic evaluation and their binding to glycogen phosphorylase.
Bioorg.Med.Chem., 19, 2011
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1U4E
 | | Crystal Structure of Cytoplasmic Domains of GIRK1 channel | | Descriptor: | G protein-activated inward rectifier potassium channel 1 | | Authors: | Pegan, S, Arrabit, C, Zhou, W, Kwiatkowski, W, Slesinger, P.A, Choe, S. | | Deposit date: | 2004-07-24 | | Release date: | 2005-03-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Cytoplasmic domain structures of Kir2.1 and Kir3.1 show sites for modulating gating and rectification
Nat.Neurosci., 8, 2005
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3W3L
 | | Crystal structure of human TLR8 in complex with Resiquimod (R848) crystal form 1 | | Descriptor: | 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, ... | | Authors: | Tanji, H, Ohto, U, Shimizu, T. | | Deposit date: | 2012-12-22 | | Release date: | 2013-04-03 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands
Science, 339, 2013
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2CLE
 | | Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2- amino-1-ethylphosphate (F6) - lowF6 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: | 2007-06-12 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Synthesis and Characterization of Allosteric Probes of Substrate Channeling in the Tryptophan Synthase Bienzyme Complex.
Biochemistry, 46, 2007
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2L61
 | | Protein and metal cluster structure of the wheat metallothionein domain g-Ec-1. The second part of the puzzle. | | Descriptor: | CADMIUM ION, EC protein I/II | | Authors: | Loebus, J, Peroza, E.A, Bluethgen, N, Fox, T, Meyer-Klaucke, W, Zerbe, O, Freisinger, E. | | Deposit date: | 2010-11-12 | | Release date: | 2011-05-25 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Protein and metal cluster structure of the wheat metallothionein domain gamma-E(c)-1: the second part of the puzzle.
J.Biol.Inorg.Chem., 16, 2011
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1WO2
 | | Crystal structure of the pig pancreatic alpha-amylase complexed with malto-oligosaacharides under the effect of the chloride ion | | Descriptor: | 1,2-ETHANEDIOL, Alpha-amylase, pancreatic, ... | | Authors: | Qian, M, Payan, F, Nahoum, V. | | Deposit date: | 2004-08-11 | | Release date: | 2005-03-15 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Molecular Basis of the Effects of Chloride Ion on the Acid-Base Catalyst in the Mechanism of Pancreatic alpha-Amylase
Biochemistry, 44, 2005
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7EMM
 | | Crystal structure of IrCp* immobilized apo-R52H-rHLFr | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Taher, M, Maity, B, Nakane, T, Abe, S, Ueno, T, Mazumdar, S. | | Deposit date: | 2021-04-14 | | Release date: | 2022-03-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Controlled Uptake of an Iridium Complex inside Engineered apo-Ferritin Nanocages: Study of Structure and Catalysis.
Angew.Chem.Int.Ed.Engl., 61, 2022
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1OGT
 | | CRYSTAL STRUCTURE OF HLA-B*2705 COMPLEXED WITH THE VASOACTIVE INTESTINAL PEPTIDE TYPE 1 RECEPTOR (VIPR) PEPTIDE (RESIDUES 400-408) | | Descriptor: | BETA-2-MICROGLOBULIN, GLYCEROL, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | | Authors: | Hulsmeyer, M, Fiorillo, M.T, Bettosini, F, Sorrentino, R, Saenger, W, Ziegler, A, Uchanska-Ziegler, B. | | Deposit date: | 2003-05-13 | | Release date: | 2004-01-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Dual, HLA-B27 subtype-dependent conformation of a self-peptide.
J. Exp. Med., 199, 2004
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