2R9M
 
 | | Cathepsin S complexed with Compound 15 | | Descriptor: | Cathepsin S, N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | | Authors: | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | | Deposit date: | 2007-09-13 | | Release date: | 2007-12-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
To be Published
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4LAY
 | | Crystal Structure Analysis of FKBP52, Complex with I63 | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP4, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | | Authors: | Bracher, A, Kozany, C, Haehle, A, Wild, P, Zacharias, M, Hausch, F. | | Deposit date: | 2013-06-20 | | Release date: | 2013-08-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structures of the Free and Ligand-Bound FK1-FK2 Domain Segment of FKBP52 Reveal a Flexible Inter-Domain Hinge.
J.Mol.Biol., 425, 2013
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2XJ1
 | | Protein kinase Pim-1 in complex with small molecule inibitor | | Descriptor: | (2E)-3-(3-{6-[(TRANS-4-AMINOCYCLOHEXYL)AMINO]PYRAZIN-2-YL}PHENYL)PROP-2-ENOIC ACID, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | | Deposit date: | 2010-07-01 | | Release date: | 2011-02-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
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2RCY
 | | Crystal structure of Plasmodium falciparum pyrroline carboxylate reductase (MAL13P1.284) with NADP bound | | Descriptor: | GLYCEROL, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Wernimont, A.K, Lew, J, Lin, Y.H, Ren, H, Sun, X, Khuu, C, Hassanali, A, Wasney, G, Zhao, Y, Kozieradzki, I, Schapira, M, Bochkarev, A, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-09-20 | | Release date: | 2007-10-23 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of Plasmodium falciparum pyrroline carboxylate reductase (MAL13P1.284) with NADP bound.
To be Published
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2R9O
 | | Cathepsin S complexed with Compound 8 | | Descriptor: | Cathepsin S, N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | | Authors: | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | | Deposit date: | 2007-09-13 | | Release date: | 2007-12-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
to be published
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2R9N
 | | Cathepsin S complexed with Compound 26 | | Descriptor: | Cathepsin S, N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide | | Authors: | Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M. | | Deposit date: | 2007-09-13 | | Release date: | 2007-12-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
to be published
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3UWP
 | | Crystal structure of Dot1l in complex with 5-iodotubercidin | | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | | Authors: | Yu, W, Tempel, W, Smil, D, Schapira, M, Li, Y, Vedadi, M, Nguyen, K.T, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-12-02 | | Release date: | 2012-03-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
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3UOU
 | | Crystal structure of the Kunitz-type protease inhibitor ShPI-1 Lys13Leu mutant in complex with pancreatic elastase | | Descriptor: | Chymotrypsin-like elastase family member 1, GLYCEROL, Kunitz-type proteinase inhibitor SHPI-1, ... | | Authors: | Garcia-Fernandez, R, Perbandt, M, Rehders, D, Gonzalez-Gonzalez, Y, Chavez, M.A, Betzel, C, Redecke, L. | | Deposit date: | 2011-11-17 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three-dimensional Structure of a Kunitz-type Inhibitor in Complex with an Elastase-like Enzyme.
J.Biol.Chem., 290, 2015
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4POZ
 | | Fab fragment of Der p 1 specific antibody 10B9 | | Descriptor: | heavy chain of Fab fragment of 10B9 antibody, light chain of Fab fragment of 10B9 antibody | | Authors: | Osinski, T, Majorek, K.A, Pomes, A, Offermann, L.R, Osinski, S, Glesner, J, Vailes, L.D, Chapman, M.D, Minor, W, Chruszcz, M. | | Deposit date: | 2014-02-26 | | Release date: | 2015-04-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Analysis of Der p 1-Antibody Complexes and Comparison with Complexes of Proteins or Peptides with Monoclonal Antibodies.
J. Immunol., 195, 2015
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2AEH
 | | Focal adhesion kinase 1 | | Descriptor: | Focal adhesion kinase 1 | | Authors: | Ceccarelli, D.F, Song, H.K, Poy, F, Schaller, M.D, Eck, M.J. | | Deposit date: | 2005-07-22 | | Release date: | 2005-10-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Crystal Structure of the FERM Domain of Focal Adhesion Kinase
J.Biol.Chem., 281, 2006
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2R77
 | | Crystal structure of phosphatidylethanolamine-binding protein, pfl0955c, from Plasmodium falciparum | | Descriptor: | Phosphatidylethanolamine-binding protein, putative | | Authors: | Wernimont, A.K, Lew, J, Kozieradzki, I, Lin, Y.H, Sun, X, Khuu, C, Crombette, L, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-09-07 | | Release date: | 2007-09-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of phosphatidylethanolamine-binding protein, pfl0955c, from Plasmodium falciparum.
To be Published
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2XF1
 | | Crystal structure of Plasmodium falciparum actin depolymerization factor 1 | | Descriptor: | COFILIN ACTIN-DEPOLYMERIZING FACTOR HOMOLOG 1, SULFATE ION | | Authors: | Singh, B.K, Sattler, J.M, Huttu, J, Chatterjee, M, Schueler, H, Kursula, I. | | Deposit date: | 2010-05-20 | | Release date: | 2011-06-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Crystal Structures Explain Functional Differences in the Two Actin Depolymerization Factors of the Malaria Parasite.
J.Biol.Chem., 286, 2011
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3BE4
 | | Crystal structure of Cryptosporidium parvum adenylate kinase cgd5_3360 | | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, GLYCEROL, ... | | Authors: | Wernimont, A.K, Lew, J, Kozieradzki, I, Lin, Y.H, Sun, X, Khuu, C, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-11-16 | | Release date: | 2007-12-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of Cryptosporidium parvum adenylate kinase cgd5_3360.
To be Published
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3UGR
 | | AKR1C3 complex with indomethacin at pH 6.8 | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, DIMETHYL SULFOXIDE, ... | | Authors: | Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M, Squire, C.J. | | Deposit date: | 2011-11-02 | | Release date: | 2012-08-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
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3UG8
 | | AKR1C3 complex with indomethacin at pH 7.5 | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, INDOMETHACIN, ... | | Authors: | Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M, Squire, C.J. | | Deposit date: | 2011-11-02 | | Release date: | 2012-08-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
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2P7Q
 | | Crystal structure of E126Q mutant of genomically encoded fosfomycin resistance protein, FosX, from Listeria monocytogenes complexed with MN(II) and 1S,2S-dihydroxypropylphosphonic acid | | Descriptor: | Glyoxalase family protein, MANGANESE (II) ION, [(1S,2S)-1,2-DIHYDROXYPROPYL]PHOSPHONIC ACID | | Authors: | Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N. | | Deposit date: | 2007-03-20 | | Release date: | 2007-07-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and Mechanism of the Genomically Encoded Fosfomycin Resistance Protein, FosX, from Listeria monocytogenes.
Biochemistry, 46, 2007
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3CPS
 | | Crystal structure of Cryptosporidium parvum glyceraldehyde-3-phosphate dehydrogenase | | Descriptor: | Glyceraldehyde 3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Wernimont, A.K, Lew, J, Kozieradzki, I, Cossar, D, Schapiro, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Pizarro, J, Hills, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-04-01 | | Release date: | 2008-04-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of Cryptosporidium parvum glyceraldehyde-3-phosphate dehydrogenase.
To be Published
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2XIX
 | | Protein kinase Pim-1 in complex with fragment-1 from crystallographic fragment screen | | Descriptor: | 3,5-DIAMINO-1H-[1,2,4]TRIAZOLE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | | Deposit date: | 2010-07-01 | | Release date: | 2011-02-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
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2XJ2
 | | Protein kinase Pim-1 in complex with small molecule inhibitor | | Descriptor: | (2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | | Deposit date: | 2010-07-01 | | Release date: | 2011-02-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
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2XIY
 | | Protein kinase Pim-1 in complex with fragment-2 from crystallographic fragment screen | | Descriptor: | 2-HYDROXYMETHYL-BENZOIMIDAZOLE, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | | Deposit date: | 2010-07-01 | | Release date: | 2011-02-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
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3B6N
 | | Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase PV003920 from Plasmodium vivax | | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ZINC ION | | Authors: | Wernimont, A.K, Lew, J, Kozieradzki, I, Lin, Y.H, Sun, X, Khuu, C, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-10-29 | | Release date: | 2007-11-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase PV003920 from Plasmodium vivax.
To be Published
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2AWC
 | | deoxy-DcrH-Hr | | Descriptor: | MU-OXO-DIIRON, hemerythrin-like domain protein DcrH | | Authors: | Isaza, C.E, Silaghi-Dumitrescu, R, Iyer, R.B, Kurtz, D.M, Chan, M.K. | | Deposit date: | 2005-08-31 | | Release date: | 2006-08-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis for O(2) Sensing by the Hemerythrin-like Domain of a Bacterial Chemotaxis Protein: Substrate Tunnel and Fluxional N Terminus
Biochemistry, 45, 2006
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2PHL
 | | THE STRUCTURE OF PHASEOLIN AT 2.2 ANGSTROMS RESOLUTION: IMPLICATIONS FOR A COMMON VICILIN(SLASH)LEGUMIN STRUCTURE AND THE GENETIC ENGINEERING OF SEED STORAGE PROTEINS | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PHASEOLIN, PHOSPHATE ION | | Authors: | Lawrence, M.C, Izard, T, Beuchat, M, Blagrove, R.J, Colman, P.M. | | Deposit date: | 1994-07-07 | | Release date: | 1994-09-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of phaseolin at 2.2 A resolution. Implications for a common vicilin/legumin structure and the genetic engineering of seed storage proteins.
J.Mol.Biol., 238, 1994
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4BF7
 | | Emericilla nidulans endo-beta-1,4-galactanase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ARABINOGALACTAN ENDO-1,4-BETA-GALACTOSIDASE A, ... | | Authors: | Otten, H, Michalak, M, Larsen, S, Mikkelsen, J.D. | | Deposit date: | 2013-03-15 | | Release date: | 2013-08-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | The Binding of Zinc Ions to Emericella Nidulans Endo-[Beta]-1,4-Galactanase is Essential for Crystal Formation
Acta Crystallogr.,Sect.F, 69, 2013
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1FKK
 | | ATOMIC STRUCTURE OF FKBP12, AN IMMUNOPHILIN BINDING PROTEIN | | Descriptor: | FK506 BINDING PROTEIN, SULFATE ION | | Authors: | Wilson, K.P, Sintchak, M.D, Thomson, J.A, Navia, M.A. | | Deposit date: | 1995-08-18 | | Release date: | 1995-12-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Comparative X-ray structures of the major binding protein for the immunosuppressant FK506 (tacrolimus) in unliganded form and in complex with FK506 and rapamycin.
Acta Crystallogr.,Sect.D, 51, 1995
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