1CUH
 
 | | CUTINASE, R196E MUTANT | | Descriptor: | CUTINASE | | Authors: | Longhi, S, Cambillau, C. | | Deposit date: | 1995-11-16 | | Release date: | 1996-07-11 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Dynamics of Fusarium solani cutinase investigated through structural comparison among different crystal forms of its variants.
Proteins, 26, 1996
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1CUF
 | | CUTINASE, R156L MUTANT | | Descriptor: | CUTINASE | | Authors: | Longhi, S, Cambillau, C. | | Deposit date: | 1995-11-16 | | Release date: | 1996-07-11 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Dynamics of Fusarium solani cutinase investigated through structural comparison among different crystal forms of its variants.
Proteins, 26, 1996
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2Y5F
 | | FACTOR XA - CATION INHIBITOR COMPLEX | | Descriptor: | (3AS,4R,5S,8AS,8BR)-4-[5-(5-CHLOROTHIOPHEN-2-YL)-1,2-OXAZOL-3-YL]-2-[3-[1-(2-HYDROXYETHYL)PYRROLIDIN-1-IUM-1-YL]PROPYL]-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZINE-1,3-DIONE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, ... | | Authors: | Banner, D.W, Salonen, L.M, Holland, M.C, Haap, W, Benz, J, Diederich, F. | | Deposit date: | 2011-01-13 | | Release date: | 2011-12-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Molecular Recognition at the Active Site of Factor Xa: Cation-Pi Interactions, Stacking on Planar Peptide Surfaces, and Replacement of Structural Water.
Chemistry, 18, 2012
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3HRH
 | | Crystal Structure of Antigen 85C and Glycerol | | Descriptor: | Antigen 85-C, GLYCEROL | | Authors: | Boucau, J, Sanki, A.K, Umesiri, F.E, Sucheck, S.J, Ronning, D.R. | | Deposit date: | 2009-06-09 | | Release date: | 2009-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design, synthesis and biological evaluation of sugar-derived esters, alpha-ketoesters and alpha-ketoamides as inhibitors for Mycobacterium tuberculosis antigen 85C.
Mol Biosyst, 5, 2009
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3I2Y
 | | Proteinase K by Classical hanging drop Method before high X-Ray dose on ID14-2 Beamline at ESRF | | Descriptor: | CALCIUM ION, Proteinase K | | Authors: | Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C. | | Deposit date: | 2009-06-30 | | Release date: | 2010-06-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (0.995 Å) | | Cite: | Atomic structure and radiation resistance of Langmuir-Blodgett protein crystals
To be Published
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2XBJ
 | | Crystal Structure of Chk2 in complex with an inhibitor | | Descriptor: | 4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL)PYRROLIDIN-3-YL]AMINO}-6,7-DIMETHOXYQUINAZOLIN-2-YL)PHENOL, MAGNESIUM ION, NITRATE ION, ... | | Authors: | Anderson, V.E, Walton, M.I, Eve, P.D, Caldwell, J.J, Pearl, L.H, Oliver, A.W, Collins, I, Garrett, M.D. | | Deposit date: | 2010-04-12 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2.
J.Med.Chem., 54, 2011
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3HYQ
 | | Crystal Structure of Isopentenyl-Diphosphate delta-Isomerase from Salmonella entericase | | Descriptor: | Isopentenyl-diphosphate Delta-isomerase | | Authors: | Kim, Y, Zhou, M, Peterson, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-06-22 | | Release date: | 2009-06-30 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.525 Å) | | Cite: | Crystal Structure of Isopentenyl-Diphosphate delta-Isomerase from Salmonella entericase
To be Published
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3I30
 | | Proteinase K by Classical hanging drop Method after high X-Ray dose on ID14-2 Beamline at ESRF | | Descriptor: | CALCIUM ION, Proteinase K | | Authors: | Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C. | | Deposit date: | 2009-06-30 | | Release date: | 2010-06-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (0.992 Å) | | Cite: | Atomic structure and radiation resistance of Langmuir-Blodgett protein crystals
To be Published
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2XBS
 | | Raman crystallography of Hen White Egg Lysozyme - High X-ray dose (16 MGy) | | Descriptor: | CHLORIDE ION, LYSOZYME C | | Authors: | Carpentier, P, Royant, A, Weik, M, Bourgeois, D. | | Deposit date: | 2010-04-14 | | Release date: | 2010-11-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Raman Assisted Crystallography Reveals a Mechanism of X-Ray Induced Reversible Disulfide Radical Formation
Structure, 18, 2010
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2XM9
 | | Structure of a small molecule inhibitor with the kinase domain of Chk2 | | Descriptor: | 4-(1H-pyrazol-5-yl)-2-{4-[(3S)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | | Authors: | Caldwell, J.J, Welsh, E.J, Matijssen, C, Anderson, V.E, Antoni, L, Boxall, K, Urban, F, Hayes, A, Raynaud, F.I, Rigoreau, L.J, Raynham, T, Aherne, G.W, Pearl, L.H, Oliver, A.W, Garrett, M.D, Collins, I. | | Deposit date: | 2010-07-26 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2.
J.Med.Chem., 54, 2011
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3I06
 | | Crystal structure of cruzain covalently bound to a purine nitrile | | Descriptor: | 6-[(3,5-difluorophenyl)amino]-9-ethyl-9H-purine-2-carbonitrile, Cruzipain | | Authors: | Ferreira, R.S, Shoichet, B.K, McKerrow, J.H. | | Deposit date: | 2009-06-24 | | Release date: | 2009-12-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Identification and optimization of inhibitors of trypanosomal cysteine proteases: cruzain, rhodesain, and TbCatB.
J.Med.Chem., 53, 2010
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3HW1
 | | Structure of Bace (beta secretase) in complex with ligand EV2 | | Descriptor: | 3-pyrrolidin-1-ylquinoxalin-2-amine, Beta-secretase 1, GLYCEROL | | Authors: | Godemann, R, Madden, J, Kramer, J, Smith, M.A, Barker, J, Ebneth, A. | | Deposit date: | 2009-06-17 | | Release date: | 2009-11-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Fragment-Based Discovery of BACE1 Inhibitors Using Functional Assays
Biochemistry, 48, 2009
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2XM8
 | | Co-crystal structure of a small molecule inhibitor bound to the kinase domain of Chk2 | | Descriptor: | 2-{4-[(3S)-PYRROLIDIN-3-YLAMINO]QUINAZOLIN-2-YL}PHENOL, SERINE/THREONINE-PROTEIN KINASE CHK2 | | Authors: | Caldwell, J.J, Welsh, E.J, Matijssen, C, Anderson, V.E, Antoni, L, Boxall, K, Urban, F, Hayes, A, Raynaud, F.I, Rigoreau, L.J, Raynham, T, Aherne, G.W, Pearl, L.H, Oliver, A.W, Garrett, M.D, Collins, I. | | Deposit date: | 2010-07-26 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2.
J.Med.Chem., 54, 2011
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3L1F
 | | Bovine AlphaA crystallin | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha-crystallin A chain | | Authors: | Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D. | | Deposit date: | 2009-12-11 | | Release date: | 2010-05-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Crystal structures of truncated alphaA and alphaB crystallins reveal structural mechanisms of polydispersity important for eye lens function.
Protein Sci., 19, 2010
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2UZS
 | | A transforming mutation in the pleckstrin homology domain of AKT1 in cancer (AKT1-PH_E17K) | | Descriptor: | INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, RAC-alpha serine/threonine-protein kinase | | Authors: | Carpten, J.D, Faber, A.L, Horn, C, Donoho, G.P, Briggs, S.L, Robbins, C.M, Hostetter, G, Boguslawski, S, Moses, T.Y, Savage, S, Uhlik, M, Lin, A, Du, J, Qian, Y.W, Zeckner, D.J, Tucker-Kellogg, G, Touchman, J, Patel, K, Mousses, S, Bittner, M, Schevitz, R, Lai, M.H, Blanchard, K.L, Thomas, J.E. | | Deposit date: | 2007-05-01 | | Release date: | 2007-07-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | A transforming mutation in the pleckstrin homology domain of AKT1 in cancer.
Nature, 448, 2007
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3KWV
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1BZ5
 | | EVIDENCE OF A COMMON DECAMER IN THREE CRYSTAL STRUCTURES OF BPTI, CRYSTALLIZE FROM THIOCYANATE, CHLORIDE OR SULFATE | | Descriptor: | PANCREATIC TRYPSIN INHIBITOR, SULFATE ION | | Authors: | Hamiaux, C, Prange, T, Ries-Kautt, M, Ducruix, A, Lafont, S, Astier, J.P, Veesler, S. | | Deposit date: | 1998-11-05 | | Release date: | 1998-11-11 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | The BPTI decamer observed in acidic pH crystal forms pre-exists as a stable species in solution.
J.Mol.Biol., 297, 2000
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2VIY
 | | Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(pentylsulfonyl)benzamide | | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(pentylsulfonyl)benzamide | | Authors: | Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | | Deposit date: | 2007-12-06 | | Release date: | 2008-01-29 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Bace-1 Inhibitors Part 1: Identification of Novel Hydroxy Ethylamines (Heas).
Bioorg.Med.Chem.Lett., 18, 2008
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2V36
 | | Crystal structure of gamma-glutamyl transferase from Bacillus subtilis | | Descriptor: | GAMMA-GLUTAMYLTRANSPEPTIDASE LARGE CHAIN, GAMMA-GLUTAMYLTRANSPEPTIDASE SMALL CHAIN | | Authors: | Sharath, B, Prabhune, A.A, Suresh, C.G, Wilkinson, A.J, Brannigan, J.A. | | Deposit date: | 2007-06-13 | | Release date: | 2008-07-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of Gamma-Glutamyl Transferase
To be Published
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3HYE
 | | Crystal structure of 20S proteasome in complex with hydroxylated salinosporamide | | Descriptor: | (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carbaldehyde, Proteasome component C1, Proteasome component C11, ... | | Authors: | Groll, M, Arthur, K.A.M, Macherla, V.R, Manam, R.R, Potts, B.C. | | Deposit date: | 2009-06-22 | | Release date: | 2009-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Snapshots of the fluorosalinosporamide/20S complex offer mechanistic insights for fine tuning proteasome inhibition
J.Med.Chem., 52, 2009
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2V8B
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3I34
 | | Proteinase K by LB Nanotemplate Method after high X-Ray dose on ID14-2 Beamline at ESRF | | Descriptor: | CALCIUM ION, MERCURY (II) ION, Proteinase K | | Authors: | Pechkova, E, Tripathi, S.K, Ravelli, R, McSweeney, S, Nicolini, C. | | Deposit date: | 2009-06-30 | | Release date: | 2010-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Radiation damage study of Proteinase K at ID14-2 beamline at ESRF
To be Published
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2VKM
 | | Crystal structure of GRL-8234 bound to BACE (Beta-secretase) | | Descriptor: | BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | | Authors: | Hong, L, Tang, J, Ghosh, A.K. | | Deposit date: | 2007-12-04 | | Release date: | 2008-12-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Potent Memapsin 2 (Beta-Secretase) Inhibitors: Design, Synthesis, Protein-Ligand X-Ray Structure, and in Vivo Evaluation.
Bioorg.Med.Chem.Lett., 18, 2008
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3HVG
 | | Structure of bace (beta secretase) in Complex with EV0 | | Descriptor: | 2-amino-6-propylpyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL | | Authors: | Godemann, R, Madden, J, Kramer, J, Smith, M.A, Barker, J, Ebneth, A. | | Deposit date: | 2009-06-16 | | Release date: | 2009-11-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Fragment-Based Discovery of BACE1 Inhibitors Using Functional Assays
Biochemistry, 48, 2009
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3HLN
 | | Crystal structure of ClpP A153C mutant with inter-heptamer disulfide bonds | | Descriptor: | ATP-dependent Clp protease proteolytic subunit, CALCIUM ION | | Authors: | Kimber, M.S, Yu, A.Y.H, Borg, M, Chan, H.S, Houry, W.A. | | Deposit date: | 2009-05-27 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural and Theoretical Studies Indicate that the Cylindrical Protease ClpP Samples Extended and Compact Conformations.
Structure, 18, 2010
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