1AH2
 
 | | SERINE PROTEASE PB92 FROM BACILLUS ALCALOPHILUS, NMR, 18 STRUCTURES | | Descriptor: | SERINE PROTEASE PB92 | | Authors: | Boelens, R, Schipper, D, Martin, J.R, Karimi-Nejad, Y, Mulder, F, Zwan, J.V.D, Mariani, M. | | Deposit date: | 1997-04-11 | | Release date: | 1998-04-15 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The solution structure of serine protease PB92 from Bacillus alcalophilus presents a rigid fold with a flexible substrate-binding site.
Structure, 5, 1997
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1BXO
 | | ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL CYCLO[(2S)-2-[[(1R)-1-(N-(L-N-(3-METHYLBUTANOYL)VALYL-L-ASPARTYL)AMINO)-3-METHYLBUT YL] HYDROXYPHOSPHINYLOXY]-3-(3-AMINOMETHYL) PHENYLPROPANOATE | | Descriptor: | GLYCEROL, METHYL CYCLO[(2S)-2-[[(1R)-1-(N-(L-N-(3-METHYLBUTANOYL)VALYL-L-ASPARTYL)AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-3-(3-AMINOMETHYL)PHENYLPROPANOATE, PROTEIN (PENICILLOPEPSIN), ... | | Authors: | Khan, A.R, Parrish, J.C, Fraser, M.E, Smith, W.W, Bartlett, P.A, James, M.N.G. | | Deposit date: | 1998-10-07 | | Release date: | 1998-10-14 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Lowering the entropic barrier for binding conformationally flexible inhibitors to enzymes.
Biochemistry, 37, 1998
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1A7J
 | | PHOSPHORIBULOKINASE FROM RHODOBACTER SPHEROIDES | | Descriptor: | PHOSPHORIBULOKINASE, SULFATE ION | | Authors: | Harrison, D.H.T, Runquist, J, Holub, A, Miziorko, H. | | Deposit date: | 1998-03-16 | | Release date: | 1998-06-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of phosphoribulokinase from Rhodobacter sphaeroides reveals a fold similar to that of adenylate kinase.
Biochemistry, 37, 1998
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1BXQ
 | | ACID PROTEINASE (PENICILLOPEPSIN) COMPLEX WITH PHOSPHONATE INHIBITOR. | | Descriptor: | 2-[(1R)-1-(N-(3-METHYLBUTANOYL)-L-VALYL-L-ASPARAGINYL)-AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-3-PHENYLPROPANOIC ACID METHYLESTER, ACETATE ION, GLYCEROL, ... | | Authors: | Parrish, J.C, Khan, A.R, Fraser, M.E, Smith, W.W, Bartlett, P.A, James, M.N.G. | | Deposit date: | 1998-10-07 | | Release date: | 1998-10-14 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Lowering the entropic barrier for binding conformationally flexible inhibitors to enzymes.
Biochemistry, 37, 1998
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1A4L
 | | ADA STRUCTURE COMPLEXED WITH DEOXYCOFORMYCIN AT PH 7.0 | | Descriptor: | 2'-DEOXYCOFORMYCIN, ADENOSINE DEAMINASE, ZINC ION | | Authors: | Wang, Z, Quiocho, F.A. | | Deposit date: | 1998-01-31 | | Release date: | 1998-10-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Complexes of adenosine deaminase with two potent inhibitors: X-ray structures in four independent molecules at pH of maximum activity.
Biochemistry, 37, 1998
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1A4M
 | | ADA STRUCTURE COMPLEXED WITH PURINE RIBOSIDE AT PH 7.0 | | Descriptor: | 6-HYDROXY-1,6-DIHYDRO PURINE NUCLEOSIDE, ADENOSINE DEAMINASE, ZINC ION | | Authors: | Wang, Z, Quiocho, F.A. | | Deposit date: | 1998-01-31 | | Release date: | 1998-10-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Complexes of adenosine deaminase with two potent inhibitors: X-ray structures in four independent molecules at pH of maximum activity.
Biochemistry, 37, 1998
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1AOD
 | | PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C FROM LISTERIA MONOCYTOGENES | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C | | Authors: | Heinz, D.W, Moser, J. | | Deposit date: | 1997-07-02 | | Release date: | 1998-01-07 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the phosphatidylinositol-specific phospholipase C from the human pathogen Listeria monocytogenes.
J.Mol.Biol., 273, 1997
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1BD0
 | | ALANINE RACEMASE COMPLEXED WITH ALANINE PHOSPHONATE | | Descriptor: | ALANINE RACEMASE, {1-[(3-HYDROXY-METHYL-5-PHOSPHONOOXY-METHYL-PYRIDIN-4-YLMETHYL)-AMINO]-ETHYL}-PHOSPHONIC ACID | | Authors: | Stamper, G.F, Morollo, A.A, Ringe, D. | | Deposit date: | 1998-05-12 | | Release date: | 1998-10-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Reaction of alanine racemase with 1-aminoethylphosphonic acid forms a stable external aldimine.
Biochemistry, 37, 1998
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4PGM
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4V5X
 | | The cryo-EM structure of a 3D DNA-origami object | | Descriptor: | SCAFFOLD STRAND,SCAFFOLD STRAND, STAPLE STRAND | | Authors: | Bai, X.C, Martin, T.G, Scheres, S.H.W, Dietz, H. | | Deposit date: | 2012-10-09 | | Release date: | 2014-07-09 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (11.5 Å) | | Cite: | Cryo-Em Structure of a 3D DNA-Origami Object.
Proc.Natl.Acad.Sci.USA, 109, 2012
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7BHO
 | | DNA origami signpost designed model | | Descriptor: | DNA, DNA scaffold | | Authors: | Silvester, E, Vollmer, B, Prazak, V, Vasishtan, D, Machala, E.A, Whittle, C, Black, S, Bath, J, Turberfield, A.J, Gruenewald, K, Baker, L.A. | | Deposit date: | 2021-01-11 | | Release date: | 2021-04-14 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (36.439999 Å) | | Cite: | DNA origami signposts for identifying proteins on cell membranes by electron cryotomography.
Cell, 184, 2021
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4V99
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5WFK
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2RR2
 | | Structure of O-fucosylated epidermal growth factor-like repeat 12 of mouse Notch-1 receptor | | Descriptor: | Neurogenic locus notch homolog protein 1, alpha-L-fucopyranose | | Authors: | Hosoguchi, K, Shimizu, K, Fujitani, N, Nishimura, S. | | Deposit date: | 2010-02-26 | | Release date: | 2010-10-13 | | Last modified: | 2020-07-29 | | Method: | SOLUTION NMR | | Cite: | Chemical Synthesis, Folding, and Structural Insights into O-Fucosylated Epidermal Growth Factor-like Repeat 12 of Mouse Notch-1 Receptor
J.Am.Chem.Soc., 132, 2010
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2RR0
 | | Structure of epidermal growth factor-like repeat 12 of mouse Notch-1 receptor | | Descriptor: | Neurogenic locus notch homolog protein 1 | | Authors: | Hosoguchi, K, Shimizu, K, Fujitani, N, Nishimura, S. | | Deposit date: | 2010-02-26 | | Release date: | 2010-10-13 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Chemical Synthesis, Folding, and Structural Insights into O-Fucosylated Epidermal Growth Factor-like Repeat 12 of Mouse Notch-1 Receptor
J.Am.Chem.Soc., 132, 2010
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2RQZ
 | | Structure of sugar modified epidermal growth factor-like repeat 12 of mouse Notch-1 receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-L-fucopyranose, Neurogenic locus notch homolog protein 1 | | Authors: | Shimizu, K, Fujitani, N, Hosoguchi, K, Nishimura, S. | | Deposit date: | 2010-02-26 | | Release date: | 2010-10-13 | | Last modified: | 2020-07-29 | | Method: | SOLUTION NMR | | Cite: | Chemical Synthesis, Folding, and Structural Insights into O-Fucosylated Epidermal Growth Factor-like Repeat 12 of Mouse Notch-1 Receptor
J.Am.Chem.Soc., 132, 2010
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7EBC
 | | Crystal structure of Isocitrate lyase-1 from Saccaromyces cervisiae | | Descriptor: | Isocitrate lyase, MAGNESIUM ION, TETRAETHYLENE GLYCOL | | Authors: | Hiragi, K, Nishio, K, Moriyama, S, Hamaguchi, T, Mizoguchi, A, Yonekura, K, Tani, K, Mizushima, T. | | Deposit date: | 2021-03-09 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural insights into the targeting specificity of ubiquitin ligase for S. cerevisiae isocitrate lyase but not C. albicans isocitrate lyase.
J.Struct.Biol., 213, 2021
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7EBE
 | | Crystal structure of Isocitrate lyase-1 from Candida albicans | | Descriptor: | FORMIC ACID, Isocitrate lyase, MAGNESIUM ION | | Authors: | Hiragi, K, Nishio, K, Moriyama, S, Hamaguchi, T, Mizoguchi, A, Yonekura, K, Tani, K, Mizushima, T. | | Deposit date: | 2021-03-09 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Structural insights into the targeting specificity of ubiquitin ligase for S. cerevisiae isocitrate lyase but not C. albicans isocitrate lyase.
J.Struct.Biol., 213, 2021
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7EBF
 | | Cryo-EM structure of Isocitrate lyase-1 from Candida albicans | | Descriptor: | Isocitrate lyase | | Authors: | Hiragi, K, Nishio, K, Moriyama, S, Hamaguchi, T, Mizoguchi, A, Yonekura, K, Tani, K, Mizushima, T. | | Deposit date: | 2021-03-09 | | Release date: | 2021-06-23 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.63 Å) | | Cite: | Structural insights into the targeting specificity of ubiquitin ligase for S. cerevisiae isocitrate lyase but not C. albicans isocitrate lyase.
J.Struct.Biol., 213, 2021
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6OQI
 | | CDK2 in complex with Cpd14 (5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine) | | Descriptor: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 2 | | Authors: | Murray, J.M. | | Deposit date: | 2019-04-26 | | Release date: | 2020-07-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.
Bioorg.Med.Chem.Lett., 29, 2019
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4AQL
 | | HUMAN GUANINE DEAMINASE IN COMPLEX WITH VALACYCLOVIR | | Descriptor: | 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate, GUANINE DEAMINASE, ZINC ION | | Authors: | Welin, M, Egeblad, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Schuler, H, Thorsell, A.G, Tresaugues, L, Weigelt, J, Nordlund, P. | | Deposit date: | 2012-04-18 | | Release date: | 2012-05-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Pan-Pathway Based Interaction Profiling of Fda-Approved Nucleoside and Nucleobase Analogs with Enzymes of the Human Nucleotide Metabolism.
Plos One, 7, 2012
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6OQL
 | | CDK6 in complex with Cpd13 (R)-5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine | | Descriptor: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 6 | | Authors: | Murray, J.M. | | Deposit date: | 2019-04-26 | | Release date: | 2020-07-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.707 Å) | | Cite: | Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.
Bioorg.Med.Chem.Lett., 29, 2019
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6OQO
 | | CDK6 in complex with Cpd24 N-(5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl)-5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)pyrimidin-2-amine | | Descriptor: | Cyclin-dependent kinase 6, N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine | | Authors: | Murray, J.M, Boenig, G.D.L. | | Deposit date: | 2019-04-26 | | Release date: | 2020-07-29 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.977 Å) | | Cite: | Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.
Bioorg.Med.Chem.Lett., 29, 2019
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6POG
 | | Crystal structure of the NELL2 EGF1-6-Robo3 FN1 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Wang, J, Pak, J.S, Ozkan, E. | | Deposit date: | 2019-07-03 | | Release date: | 2020-05-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.755 Å) | | Cite: | NELL2-Robo3 complex structure reveals mechanisms of receptor activation for axon guidance.
Nat Commun, 11, 2020
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4AS9
 | | The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90 | | Descriptor: | ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, [(3R,5S,6R,7R,10R,11S,12E)-5,11,21-trimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate | | Authors: | Roe, S.M, Prodromou, C. | | Deposit date: | 2012-04-30 | | Release date: | 2013-04-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Synthesis of 19-substituted geldanamycins with altered conformations and their binding to heat shock protein Hsp90.
Nat Chem, 5, 2013
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