1VEB
 
 | | Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 5 | | Descriptor: | (3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN-3-YL}-ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | | Authors: | Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.-G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B. | | Deposit date: | 2004-03-29 | | Release date: | 2005-03-29 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Structure-based optimization of novel azepane derivatives as PKB inhibitors
J.Med.Chem., 47, 2004
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1XUO
 | | X-ray structure of LFA-1 I-domain bound to a 1,4-diazepane-2,5-dione inhibitor at 1.8A resolution | | Descriptor: | (2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE, Integrin alpha-L, MAGNESIUM ION | | Authors: | Wattanasin, S, Kallen, J, Myers, S, Guo, Q, Sabio, M, Ehrhardt, C, Albert, R, Hommel, U, Weckbecker, G, Welzenbach, K. | | Deposit date: | 2004-10-26 | | Release date: | 2005-10-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 1,4-Diazepane-2,5-diones as novel inhibitors of LFA-1
Bioorg.Med.Chem.Lett., 15, 2005
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1TZ2
 | | Crystal structure of 1-aminocyclopropane-1-carboyxlate deaminase complexed with ACC | | Descriptor: | 1-AMINOCYCLOPROPANECARBOXYLIC ACID, 1-aminocyclopropane-1-carboxylate deaminase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Karthikeyan, S, Zhou, Q, Zhao, Z, Kao, C.L, Tao, Z, Robinson, H, Liu, H.W, Zhang, H. | | Deposit date: | 2004-07-09 | | Release date: | 2004-11-02 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Analysis of Pseudomonas 1-Aminocyclopropane-1-carboxylate Deaminase Complexes: Insight into the Mechanism of a Unique Pyridoxal-5'-phosphate Dependent Cyclopropane Ring-Opening Reaction
Biochemistry, 43, 2004
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8OK4
 | | Variant Surface Glycoprotein VSG11wt-Oil | | Descriptor: | Variant surface glycoprotein, alpha-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Zeelen, J.P, Stebbins, C.E, Aresta-Branco, F, Foti, K. | | Deposit date: | 2023-03-27 | | Release date: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
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8ONH
 | | Variant Surface Glycoprotein VSG11wt-Oil | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Variant surface glycoprotein, alpha-D-glucopyranose, ... | | Authors: | Zeelen, J.P, Stebbins, C.E, Foti, K, Gkeka, A, Vlachou, E.P. | | Deposit date: | 2023-04-03 | | Release date: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
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8OK8
 | | Variant Surface Glycoprotein VSG615 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Variant surface glycoprotein 615, ... | | Authors: | Zeelen, J.P, Stebbins, C.E, Chandra, M. | | Deposit date: | 2023-03-27 | | Release date: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
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8OK5
 | | Variant Surface Glycoprotein VSG11 monomer with iodine | | Descriptor: | IODIDE ION, Variant surface glycoprotein, alpha-D-glucopyranose, ... | | Authors: | Zeelen, J.P, Stebbins, C.E, Aresta-Branco, F. | | Deposit date: | 2023-03-27 | | Release date: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
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8OK6
 | | Variant Surface Glycoprotein VSG11 two monomers | | Descriptor: | SULFATE ION, Variant surface glycoprotein, alpha-D-glucopyranose, ... | | Authors: | Gkeka, A, Vlachou, E.P, Zeelen, J.P, Stebbins, C.E. | | Deposit date: | 2023-03-27 | | Release date: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
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8OK7
 | | Variant Surface Glycoprotein VSG558 NTD | | Descriptor: | Variant surface glycoprotein 558, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zeelen, J.P, Stebbins, C.E, van Straaten, M, Zhong, J. | | Deposit date: | 2023-03-27 | | Release date: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
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8OVA
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3HO0
 | | Crystal structure of the PPARgamma-LBD complexed with a new aryloxy-3phenylpropanoic acid | | Descriptor: | (2S)-2-(4-phenethylphenoxy)-3-phenyl-propanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Laghezza, A, Lavecchia, A, Novellino, E. | | Deposit date: | 2009-06-01 | | Release date: | 2009-10-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | New 2-Aryloxy-3-phenyl-propanoic Acids As Peroxisome Proliferator-Activated Receptors alpha/gamma Dual Agonists with Improved Potency and Reduced Adverse Effects on Skeletal Muscle Function
J.Med.Chem., 52, 2009
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7RDB
 | | Crystal structure of Tspan15 large extracellular loop (Tspan15 LEL) | | Descriptor: | Tetraspanin-15 | | Authors: | Lipper, C.H, Gabriel, K.H, Seegar, T.C.M, Durr, K.L, Tomlinson, M.G, Blacklow, S.C. | | Deposit date: | 2021-07-09 | | Release date: | 2021-11-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Crystal structure of the Tspan15 LEL domain reveals a conserved ADAM10 binding site.
Structure, 30, 2022
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3HOD
 | | Crystal structure of the PPARgamma-LBD complexed with a new aryloxy-3phenylpropanoic acid | | Descriptor: | (2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Pochetti, G, Montanari, R, Mazza, F, Loiodice, F, Fracchiolla, G, Laghezza, A, Lavecchia, A, Novellino, E. | | Deposit date: | 2009-06-02 | | Release date: | 2009-10-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | New 2-Aryloxy-3-phenyl-propanoic Acids As Peroxisome Proliferator-Activated Receptors alpha/gamma Dual Agonists with Improved Potency and Reduced Adverse Effects on Skeletal Muscle Function
J.Med.Chem., 52, 2009
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4I61
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2BFN
 | | The crystal structure of the complex of the haloalkane dehalogenase LinB with the product of dehalogenation reaction 1,2-dichloropropane. | | Descriptor: | (2S)-2,3-DICHLOROPROPAN-1-OL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Banas, P, Otyepka, M, Jerabek, P, Vevodova, J, Bohac, M, Damborsky, J. | | Deposit date: | 2004-12-09 | | Release date: | 2006-06-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Weak Activity of Haloalkane Dehalogenase Linb with 1,2,3-Trichloropropane Revealed by X-Ray Crystallography and Microcalorimetry
Appl.Environ.Microbiol., 73, 2007
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1J0B
 | | Crystal Structure Analysis of the ACC deaminase homologue complexed with inhibitor | | Descriptor: | 1-aminocyclopropane-1-carboxylate deaminase, N-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-Y-LMETHYL]-1-AMINO-CYCLOPROPANECARBOXYLIC ACID | | Authors: | Fujino, A, Ose, T, Honma, M, Yao, M, Tanaka, I. | | Deposit date: | 2002-11-12 | | Release date: | 2003-05-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and enzymatic properties of 1-aminocyclopropane-1-carboxylate deaminase homologue from Pyrococcus horikoshii
J.Mol.Biol., 341, 2004
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3ND5
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1F2D
 | | 1-AMINOCYCLOPROPANE-1-CARBOXYLATE DEAMINASE | | Descriptor: | 1-AMINOCYCLOPROPANE-1-CARBOXYLATE DEAMINASE, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | | Authors: | Yao, M, Ose, T, Sugimoto, H, Horiuchi, A, Nakagawa, A, Yokoi, D, Murakami, T, Honma, M, Wakatsuki, S, Tanaka, I. | | Deposit date: | 2000-05-24 | | Release date: | 2000-12-20 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of 1-aminocyclopropane-1-carboxylate deaminase from Hansenula saturnus.
J.Biol.Chem., 275, 2000
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5Y6D
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5Y6E
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5YJK
 | | Human kallikrein 7 in complex with 1,4-diazepane-7-one 1-acetamide derivative | | Descriptor: | (R)-2-(6-(5-chloro-2-methoxybenzyl)-3-(2,2-dimethylhydrazono)-7-oxo-1,4-diazepan-1-yl)-N-(3-(methylsulfonyl)phenyl)acetamide, CHLORIDE ION, Kallikrein-7 | | Authors: | Sugawara, H. | | Deposit date: | 2017-10-11 | | Release date: | 2017-12-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery and structure-activity relationship study of 1,3,6-trisubstituted 1,4-diazepane-7-ones as novel human kallikrein 7 inhibitors
Bioorg. Med. Chem. Lett., 27, 2017
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1YJQ
 | | Crystal structure of ketopantoate reductase in complex with NADP+ | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-dehydropantoate 2-reductase, ACETATE ION, ... | | Authors: | Lobley, C.M.C, Ciulli, A, Whitney, H.M, Williams, G, Smith, A.G, Abell, C, Blundell, T.L. | | Deposit date: | 2005-01-15 | | Release date: | 2005-06-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | The crystal structure of Escherichia coli ketopantoate reductase with NADP+ bound.
Biochemistry, 44, 2005
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6APV
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1XDN
 | | High resolution crystal structure of an editosome enzyme from trypanosoma brucei: RNA editing ligase 1 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNA editing ligase MP52 | | Authors: | Deng, J, Schnaufer, A, Salavati, R, Stuart, K.D, Hol, W.G. | | Deposit date: | 2004-09-07 | | Release date: | 2004-12-07 | | Last modified: | 2014-09-10 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | High resolution crystal structure of a key editosome enzyme from Trypanosoma brucei: RNA editing ligase 1.
J.Mol.Biol., 343, 2004
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5Y9L
 | | Human kallikrein 7 in complex with 1,3,6-trisubstituted 1,4-diazepane-7-one | | Descriptor: | 3-[2-[(3Z,6R)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxidanylidene-1,4-diazepan-1-yl]ethanoylamino]benzoic acid, CHLORIDE ION, Kallikrein-7 | | Authors: | Sugawara, H. | | Deposit date: | 2017-08-25 | | Release date: | 2017-11-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery and structure-activity relationship study of 1,3,6-trisubstituted 1,4-diazepane-7-ones as novel human kallikrein 7 inhibitors
Bioorg. Med. Chem. Lett., 27, 2017
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