2NTR
| Crystal structure of Human Bace-1 bound to inhibitor | Descriptor: | (2R)-2-(5-{3-chloro-6-((2-methoxyethyl){[(1S,2S)-2-methylcyclopropyl]methyl}amino)-2-[methyl(methylsulfonyl)amino]pyrid in-4-yl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-2-amine, Beta-secretase 1 | Authors: | Munshi, S. | Deposit date: | 2006-11-08 | Release date: | 2007-11-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Beta-secretase (BACE-1) inhibitors: accounting for 10s loop flexibility using rigid active sites. Bioorg.Med.Chem.Lett., 17, 2007
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2P8H
| Crystal structure of human beta secretase complexed with inhibitor | Descriptor: | Beta-secretase 1, N-{(1S,2S)-1-BENZYL-2-HYDROXY-2-[(4S)-1,2,2-TRIMETHYL-5-OXOIMIDAZOLIDIN-4-YL]ETHYL}-N'-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[METHYL(METHYLSULFONYL)AMINO]ISOPHTHALAMIDE | Authors: | Munshi, S. | Deposit date: | 2007-03-22 | Release date: | 2007-08-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and Synthesis of 2,3,5-Substituted Imidazolidin-4-one Inhibitors of BACE-1. Chemmedchem, 2, 2007
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1WKK
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1WKL
| Crystal Structure of Nucleoside Diphosphate Kinase from Thermus thermophilus HB8 in Complex with ATP and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Takeishi, S, Nakagawa, N, Masui, R, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2004-06-01 | Release date: | 2005-08-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of Nucleoside Diphosphate Kinase from Thermus thermophilus HB8 To be Published
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1WKJ
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1WU5
| Crystal structure of reducing-end-xylose releasing exo-oligoxylanase complexed with xylose | Descriptor: | GLYCEROL, NICKEL (II) ION, beta-D-xylopyranose, ... | Authors: | Fushinobu, S, Hidaka, M, Honda, Y, Wakagi, T, Shoun, H, Kitaoka, M. | Deposit date: | 2004-12-01 | Release date: | 2005-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Basis for the Specificity of the Reducing End Xylose-releasing Exo-oligoxylanase from Bacillus halodurans C-125 J.Biol.Chem., 280, 2005
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1WOC
| Crystal structure of PriB | Descriptor: | Primosomal replication protein n | Authors: | Shioi, S, Ose, T, Maenaka, K, Abe, Y, Kohda, D, Katayama, T, Ueda, T. | Deposit date: | 2004-08-13 | Release date: | 2005-01-25 | Last modified: | 2012-12-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a biologically functional form of PriB from Escherichia coli reveals a potential single-stranded DNA-binding site Biochem.Biophys.Res.Commun., 326, 2005
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1WSU
| C-terminal domain of elongation factor selB complexed with SECIS RNA | Descriptor: | 5'-R(*GP*GP*CP*GP*UP*UP*GP*CP*CP*GP*GP*UP*CP*U*GP*GP*CP*AP*AP*CP*GP*CP*C)-3', Selenocysteine-specific elongation factor | Authors: | Yoshizawa, S, Rasubala, L, Ose, T, Kohda, D, Fourmy, D, Maenaka, K. | Deposit date: | 2004-11-11 | Release date: | 2005-01-25 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for mRNA recognition by elongation factor SelB Nat.Struct.Mol.Biol., 12, 2005
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1WU4
| Crystal structure of reducing-end-xylose releasing exo-oligoxylanase | Descriptor: | GLYCEROL, NICKEL (II) ION, xylanase Y | Authors: | Fushinobu, S, Hidaka, M, Honda, Y, Wakagi, T, Shoun, H, Kitaoka, M. | Deposit date: | 2004-12-01 | Release date: | 2005-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural Basis for the Specificity of the Reducing End Xylose-releasing Exo-oligoxylanase from Bacillus halodurans C-125 J.Biol.Chem., 280, 2005
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1WU6
| Crystal structure of reducing-end-xylose releasing exo-oligoxylanase E70A mutant complexed with xylobiose | Descriptor: | GLYCEROL, NICKEL (II) ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, ... | Authors: | Fushinobu, S, Hidaka, M, Honda, Y, Wakagi, T, Shoun, H, Kitaoka, M. | Deposit date: | 2004-12-01 | Release date: | 2005-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural Basis for the Specificity of the Reducing End Xylose-releasing Exo-oligoxylanase from Bacillus halodurans C-125 J.Biol.Chem., 280, 2005
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1YC0
| short form HGFA with first Kunitz domain from HAI-1 | Descriptor: | Hepatocyte growth factor activator, Kunitz-type protease inhibitor 1, PHOSPHATE ION | Authors: | Shia, S, Stamos, J, Kirchhofer, D, Fan, B, Wu, J, Corpuz, R.T, Santell, L, Lazarus, R.A, Eigenbrot, C. | Deposit date: | 2004-12-21 | Release date: | 2005-02-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Conformational lability in serine protease active sites: structures of hepatocyte growth factor activator (HGFA) alone and with the inhibitory domain from HGFA inhibitor-1B. J.Mol.Biol., 346, 2005
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1YBW
| Protease domain of HGFA with no inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hepatocyte growth factor activator precursor | Authors: | Shia, S, Stamos, J, Kirchhofer, D, Fan, B, Wu, J, Corpuz, R.T, Santell, L, Lazarus, R.A, Eigenbrot, C. | Deposit date: | 2004-12-21 | Release date: | 2005-02-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Conformational lability in serine protease active sites: structures of hepatocyte growth factor activator (HGFA) alone and with the inhibitory domain from HGFA inhibitor-1B. J.Mol.Biol., 346, 2005
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3AJV
| Splicing endonuclease from Aeropyrum pernix | Descriptor: | CHLORIDE ION, GLYCEROL, Putative uncharacterized protein, ... | Authors: | Yoshinari, S, Watanabe, Y, Okuda, M, Shiba, T, Inaoka, K.D, Kurisu, G. | Deposit date: | 2010-06-19 | Release date: | 2010-11-17 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A Conserved Lysine Residue in the Crenarchaea-Specific Loop is Important for the Crenarchaeal Splicing Endonuclease Activity. J.Mol.Biol., 405, 2011
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2ZYZ
| Pyrobaculum aerophilum splicing endonuclease | Descriptor: | Putative uncharacterized protein PAE0789, tRNA-splicing endonuclease | Authors: | Yoshinari, S, Inaoka, D.K, Watanabe, Y, Shiba, T, Kurisu, G, Harada, S. | Deposit date: | 2009-01-30 | Release date: | 2009-06-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Functional importance of crenarchaea-specific extra-loop revealed by an X-ray structure of a heterotetrameric crenarchaeal splicing endonuclease Nucleic Acids Res., 37, 2009
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2AC4
| Crystal structure of the His183Cys mutant variant of Bacillus subtilis Ferrochelatase | Descriptor: | Ferrochelatase | Authors: | Shipovskov, S, Karlberg, T, Fodje, M, Hansson, M.D, Ferreira, G.C, Hansson, M, Reimann, C.T, Al-Karadaghi, S. | Deposit date: | 2005-07-18 | Release date: | 2005-09-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Metallation of the Transition-state Inhibitor N-methyl Mesoporphyrin by Ferrochelatase: Implications for the Catalytic Reaction Mechanism. J.Mol.Biol., 352, 2005
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2AC2
| Crystal structure of the Tyr13Phe mutant variant of Bacillus subtilis Ferrochelatase with Zn(2+) bound at the active site | Descriptor: | Ferrochelatase, ZINC ION | Authors: | Shipovskov, S, Karlberg, T, Fodje, M, Hansson, M.D, Ferreira, G.C, Hansson, M, Reimann, C.T, Al-Karadaghi, S. | Deposit date: | 2005-07-18 | Release date: | 2005-09-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Metallation of the Transition-state Inhibitor N-methyl Mesoporphyrin by Ferrochelatase: Implications for the Catalytic Reaction Mechanism. J.Mol.Biol., 352, 2005
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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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2BPV
| HIV-1 protease-inhibitor complex | Descriptor: | 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-2-CARB OXYLIC ACID TERT-BUTYLAMIDE, HIV-1 PROTEASE | Authors: | Munshi, S, Chen, Z. | Deposit date: | 1998-01-22 | Release date: | 1999-02-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme. Acta Crystallogr.,Sect.D, 54, 1998
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2BPY
| HIV-1 protease-inhibitor complex | Descriptor: | HIV-1 PROTEASE, N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-3-CHLORO-PYRAZINYL-5-CARBONYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-PENTANAMIDE | Authors: | Munshi, S, Chen, Z. | Deposit date: | 1998-01-22 | Release date: | 1999-02-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme. Acta Crystallogr.,Sect.D, 54, 1998
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2BPX
| HIV-1 protease-inhibitor complex | Descriptor: | HIV-1 PROTEASE, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | Authors: | Munshi, S, Chen, Z. | Deposit date: | 1998-01-22 | Release date: | 1999-02-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme. Acta Crystallogr.,Sect.D, 54, 1998
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2BPZ
| HIV-1 protease-inhibitor complex | Descriptor: | HIV-1 PROTEASE, N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-3-CHLORO-PYRAZINYL-5-CARBONYL)-PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-PENTANAMIDE | Authors: | Munshi, S, Chen, Z. | Deposit date: | 1998-01-22 | Release date: | 1999-02-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme. Acta Crystallogr.,Sect.D, 54, 1998
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2BPW
| HIV-1 protease-inhibitor complex | Descriptor: | 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL-CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]-4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE-2-CARB OXYLIC ACID TERT-BUTYLAMIDE, HIV-1 PROTEASE | Authors: | Munshi, S, Chen, Z. | Deposit date: | 1998-01-22 | Release date: | 1999-02-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Rapid X-ray diffraction analysis of HIV-1 protease-inhibitor complexes: inhibitor exchange in single crystals of the bound enzyme. Acta Crystallogr.,Sect.D, 54, 1998
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2AHJ
| NITRILE HYDRATASE COMPLEXED WITH NITRIC OXIDE | Descriptor: | 1,4-DIETHYLENE DIOXIDE, FE (III) ION, NITRIC OXIDE, ... | Authors: | Nagashima, S, Nakasako, M, Dohmae, N, Tsujimura, M, Takio, K, Odaka, M, Yohda, M, Kamiya, N, Endo, I. | Deposit date: | 1997-12-24 | Release date: | 1999-01-27 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Novel non-heme iron center of nitrile hydratase with a claw setting of oxygen atoms. Nat.Struct.Biol., 5, 1998
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2DRR
| Crystal structure of reducing-end-xylose releasing exo-oligoxylanase D263N mutant | Descriptor: | GLYCEROL, NICKEL (II) ION, Xylanase Y | Authors: | Fushinobu, S, Hidaka, M, Honda, Y, Wakagi, T, Shoun, H, Kitaoka, M. | Deposit date: | 2006-06-12 | Release date: | 2006-06-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural explanation for the acquisition of glycosynthase activity J.Biochem., 2009
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2DRS
| Crystal structure of reducing-end-xylose releasing exo-oligoxylanase D263S mutant | Descriptor: | GLYCEROL, NICKEL (II) ION, Xylanase Y | Authors: | Fushinobu, S, Hidaka, M, Honda, Y, Wakagi, T, Shoun, H, Kitaoka, M. | Deposit date: | 2006-06-12 | Release date: | 2006-06-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural explanation for the acquisition of glycosynthase activity J.Biochem., 2009
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