4J6B
 
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3GQF
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4J6Q
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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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3P3O
 | | Crystal Structure of the Cytochrome P450 Monooxygenase AurH (ntermII) from Streptomyces Thioluteus | | Descriptor: | CHLORIDE ION, Cytochrome P450, GLYCEROL, ... | | Authors: | Zocher, G, Richter, M.E.A, Mueller, U, Hertweck, C. | | Deposit date: | 2010-10-05 | | Release date: | 2011-02-16 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structural fine-tuning of a multifunctional cytochrome p450 monooxygenase.
J.Am.Chem.Soc., 133, 2011
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3GW5
 | | Crystal structure of human renin complexed with a novel inhibitor | | Descriptor: | (3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wu, Z, McKeever, B.M. | | Deposit date: | 2009-03-31 | | Release date: | 2009-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and optimization of renin inhibitors: Orally bioavailable alkyl amines.
Bioorg.Med.Chem.Lett., 19, 2009
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4BWG
 | | Structural basis of subtilase cytotoxin SubAB assembly | | Descriptor: | GLYCEROL, SUBA, SUBTILASE CYTOTOXIN, ... | | Authors: | Le Nours, J, Paton, A.W, Byres, E, Troy, S, Herdman, B.P, Johnson, M.D, Paton, J.C, Rossjohn, J, Beddoe, T. | | Deposit date: | 2013-07-02 | | Release date: | 2013-08-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis of Subtilase Cytotoxin Subab Assembly.
J.Biol.Chem., 288, 2013
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3GY5
 | | A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC | | Descriptor: | 1,2-ETHANEDIOL, BERENIL, CALCIUM ION, ... | | Authors: | Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P. | | Deposit date: | 2009-04-03 | | Release date: | 2010-03-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model.
Int.J.Biol.Macromol., 46, 2010
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3W9F
 | | Crystal structure of the ankyrin repeat domain of chicken TRPV4 in complex with IP3 | | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Vanilloid receptor-related osmotically activated channel protein | | Authors: | Itoh, Y, Hamada-nakahara, S, Suetsugu, S. | | Deposit date: | 2013-04-04 | | Release date: | 2014-04-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | TRPV4 channel activity is modulated by direct interaction of the ankyrin domain to PI(4,5)P2
Nat Commun, 5, 2014
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3GY4
 | | A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | | Authors: | Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P. | | Deposit date: | 2009-04-03 | | Release date: | 2010-03-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model.
Int.J.Biol.Macromol., 46, 2010
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3PQZ
 | | Grb7 SH2 with peptide | | Descriptor: | Growth factor receptor-bound protein 7, cyclic peptide | | Authors: | Wilce, J.A. | | Deposit date: | 2010-11-29 | | Release date: | 2011-07-20 | | Last modified: | 2011-09-21 | | Method: | X-RAY DIFFRACTION (2.413 Å) | | Cite: | Structural basis of binding by cyclic nonphosphorylated Peptide antagonists of grb7 implicated in breast cancer progression
J.Mol.Biol., 412, 2011
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3WB4
 | | Crystal Structure of beta secetase in complex with 2-amino-3,6-dimethyl-6-(2-phenylethyl)-3,4,5,6-tetrahydropyrimidin-4-one | | Descriptor: | (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5,6-dihydropyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL, ... | | Authors: | Yonezawa, S, Fujiwara, K, Yamamoto, T, Hattori, K, Yamakawa, H, Muto, C, Hosono, M, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | | Deposit date: | 2013-05-13 | | Release date: | 2013-10-02 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Conformational restriction approach to beta-secretase (BACE1) inhibitors III: Effective investigation of the binding mode by combinational use of X-ray analysis, isothermal titration calorimetry and theoretical calculations
Bioorg.Med.Chem., 21, 2013
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4J38
 | | Structure of Borrelia burgdorferi Outer surface protein E in complex with Factor H domains 19-20 | | Descriptor: | Complement factor H, Outer surface protein E, SULFATE ION | | Authors: | Bhattacharjee, A, Kolodziejczyk, R, Kajander, T, Goldman, A, Jokiranta, T.S. | | Deposit date: | 2013-02-05 | | Release date: | 2013-05-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Structural Basis for Complement Evasion by Lyme Disease Pathogen Borrelia burgdorferi
J.Biol.Chem., 288, 2013
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3WBR
 | | Crystal structure of carbohydrate recognition domain of Blood Dendritic Cell Antigen-2 (BDCA2) lectin (crystal form-3) | | Descriptor: | C-type lectin domain family 4 member C | | Authors: | Nagae, M, Ikeda, A, Kitago, Y, Matsumoto, N, Yamamoto, K, Yamaguchi, Y. | | Deposit date: | 2013-05-20 | | Release date: | 2013-12-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of carbohydrate recognition domain of blood dendritic cell antigen-2 (BDCA2) reveal a common domain-swapped dimer.
Proteins, 82, 2014
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3PSX
 | | Crystal structure of the KT2 mutant of cytochrome P450 BM3 | | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yang, W, Whitehouse, C.J.C, Yorke, J.A, Bell, S.G, Zhou, W, Bartlam, M, Wong, L.L, Rao, Z. | | Deposit date: | 2010-12-02 | | Release date: | 2011-12-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure, electronic properties and catalytic behaviour of an activity-enhancing CYP102A1 (P450(BM3)) variant
Dalton Trans, 40, 2011
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3WTG
 | | Crystal structure of Emu (dromaius novaehollandiae) hemoglobin at 2.3 angstrom resolution | | Descriptor: | Hemoglobin, Hemoglobin subunit alpha-A, OXYGEN MOLECULE, ... | | Authors: | Abubakkar, M.M, Maheshwaran, V, Ponnuswamy, M.N, Saraboji, K. | | Deposit date: | 2014-04-11 | | Release date: | 2014-07-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Purification and preliminary structural studies of hemoglobin from high oxygen affinity species Emu (Dromaius novaehollandiae) at neutral pH
To be Published
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3WVT
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4C41
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3WVX
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3WW5
 | | Crystal Structure of hen egg white lysozyme mutant N46E/D52S | | Descriptor: | CHLORIDE ION, Lysozyme C | | Authors: | Abe, Y, Kubota, M, Ito, Y, Imoto, T, Ueda, T. | | Deposit date: | 2014-06-17 | | Release date: | 2015-06-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Effect on catalysis by replacement of catalytic residue from hen egg white lysozyme to Venerupis philippinarum lysozyme.
Protein Sci., 25, 2016
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4J0P
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-Cyano-pyridine-2-carboxylic acid [3-((S)-2-amino-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide | | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, N-{3-[(4S)-2-amino-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide, ... | | Authors: | Kuglstatter, A, Stihle, M. | | Deposit date: | 2013-01-31 | | Release date: | 2013-12-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | beta-Secretase (BACE1) inhibitors with high in vivo efficacy suitable for clinical evaluation in Alzheimer's disease.
J.Med.Chem., 56, 2013
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3WWK
 | | Crystal structure of CLEC-2 in complex with rhodocytin | | Descriptor: | C-type lectin domain family 1 member B, Snaclec rhodocytin subunit alpha, Snaclec rhodocytin subunit beta | | Authors: | Nagae, M, Morita-Matsumoto, K, Kato, M, Kato-Kaneko, M, Kato, Y, Yamaguchi, Y. | | Deposit date: | 2014-06-20 | | Release date: | 2014-10-22 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | A Platform of C-type Lectin-like Receptor CLEC-2 for Binding O-Glycosylated Podoplanin and Nonglycosylated Rhodocytin
Structure, 22, 2014
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4IT8
 | | A sperm whale myoglobin mutant L29H Mb with two distal histidines | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Lin, Y.-W, Tan, X.-S, Li, W, Sun, M.-H, Wen, G.-B, Liu, J.-H. | | Deposit date: | 2013-01-18 | | Release date: | 2013-04-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and nitrite reductase activity comparisons of myoglobins with one to three distal histidines.
RSC Adv, 2013
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3Q03
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4C3V
 | | Extensive counter-ion interactions with subtilisin in aqueous medium, no Cs soak | | Descriptor: | CALCIUM ION, SODIUM ION, SUBTILISIN CARLSBERG, ... | | Authors: | Cianci, M, Negroni, J, Helliwell, J.R, Halling, P.J. | | Deposit date: | 2013-08-27 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Extensive Counter-Ion Interactions Seen at the Surface of Subtilisin in an Aqueous Medium
Rsc Adv, 2014
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