4A8V
 
 | | Crystal Structure of Birch Pollen Allergen Bet v 1 isoform j in complex with 8-Anilinonaphthalene-1-sulfonate (ANS) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 8-ANILINO-1-NAPHTHALENE SULFONATE, ... | | Authors: | Kofler, S, Brandstetter, H. | | Deposit date: | 2011-11-21 | | Release date: | 2012-05-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1.
J.Mol.Biol., 422, 2012
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1HEF
 | | The crystal structures at 2.2 angstroms resolution of hydroxyethylene-based inhibitors bound to human immunodeficiency virus type 1 protease show that the inhibitors are present in two distinct orientations | | Descriptor: | HIV-1 PROTEASE, SKF 108738 PEPTIDE INHIBITOR | | Authors: | Murthy, K, Winborne, E.L, Minnich, M.D, Culp, J.S, Debouck, C. | | Deposit date: | 1992-09-21 | | Release date: | 1994-05-31 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structures at 2.2-A resolution of hydroxyethylene-based inhibitors bound to human immunodeficiency virus type 1 protease show that the inhibitors are present in two distinct orientations.
J.Biol.Chem., 267, 1992
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4AB1
 | | Recombinant Human Carboxylesterase 1 from whole Cabbage Loopers | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, LIVER CARBOXYLESTERASE 1, THIOCYANATE ION | | Authors: | Greenblatt, H.M, Otto, T.C, Cerasoli, D.M, Sussman, J.L. | | Deposit date: | 2011-12-06 | | Release date: | 2012-03-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of Recombinant Human Carboxylesterase 1 Isolated from Whole Cabbage Looper Larvae.
Acta Crystallogr.,Sect.F, 68, 2012
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2WWM
 | | Crystal structure of the Titin M10-Obscurin like 1 Ig complex in space group P1 | | Descriptor: | OBSCURIN-LIKE PROTEIN 1, TITIN | | Authors: | Pernigo, S, Fukuzawa, A, Gautel, M, Steiner, R.A. | | Deposit date: | 2009-10-26 | | Release date: | 2010-02-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Insight Into M-Band Assembly and Mechanics from the Titin-Obscurin-Like-1 Complex.
Proc.Natl.Acad.Sci.USA, 107, 2010
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4FUL
 | | PI3 Kinase Gamma bound to a pyrmidine inhibitor | | Descriptor: | 4-({4-[3-(piperidin-1-ylcarbonyl)phenyl]pyrimidin-2-yl}amino)benzenesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Gopalsamy, A, Bennett, E.M, Shi, M, Zhang, W.G, Bard, J, Yu, K. | | Deposit date: | 2012-06-28 | | Release date: | 2012-10-17 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Identification of pyrimidine derivatives as hSMG-1 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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5FYK
 | | Crystal Structure at 3.7 A Resolution of Fully Glycosylated HIV-1 Clade B JR-FL SOSIP.664 Prefusion Env Trimer in Complex with Broadly Neutralizing Antibodies PGT122, 35O22 and VRC01 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22, ... | | Authors: | Stewart-Jones, G.B.E, Zhou, T, Thomas, P.V, Kwong, P.D. | | Deposit date: | 2016-03-08 | | Release date: | 2016-04-27 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.107 Å) | | Cite: | Trimeric HIV-1-Env Structures Define Glycan Shields from Clades A, B and G
Cell(Cambridge,Mass.), 165, 2016
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1NV2
 | | Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6-Phosphate, Phosphate and Thallium (20 mM) | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase, HYDROGENPHOSPHATE ION, ... | | Authors: | Choe, J, Iancu, C.V, Fromm, H.J, Honzatko, R.B. | | Deposit date: | 2003-02-01 | | Release date: | 2003-07-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Interaction of Tl+ with product complexes of fructose-1,6-bisphosphatase
J.BIOL.CHEM., 278, 2003
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1AG9
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1FJ6
 | | FRUCTOSE-1,6-BISPHOSPHATASE (MUTANT Y57W) PRODUCT/ZN COMPLEX (R-STATE) | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, FRUCTOSE-1,6-BISPHOSPHATASE, PHOSPHATE ION, ... | | Authors: | Iancu, C.V, Choe, J.Y, Honzatko, R.B. | | Deposit date: | 2000-08-07 | | Release date: | 2000-10-18 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Tryptophan fluorescence reveals the conformational state of a dynamic loop in recombinant porcine fructose-1,6-bisphosphatase.
Biochemistry, 39, 2000
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1NV1
 | | Fructose-1,6-Bisphosphatase Complex with Magnesium, Fructose-6-Phosphate, Phosphate and Thallium (5 mM) | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase, MAGNESIUM ION, ... | | Authors: | Choe, J, Iancu, C.V, Fromm, H.J, Honzatko, R.B. | | Deposit date: | 2003-02-01 | | Release date: | 2003-07-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Interaction of Tl+ with product complexes of fructose-1,6-bisphosphatase
J.BIOL.CHEM., 278, 2003
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1SGU
 | | Comparing the Accumulation of Active Site and Non-active Site Mutations in the HIV-1 Protease | | Descriptor: | N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, POL polyprotein | | Authors: | Clemente, J.C, Moose, R.E, Hemrajani, R, Govindasamy, L, Reutzel, R, Mckenna, R, Abandje-McKenna, M, Goodenow, M.M, Dunn, B.M. | | Deposit date: | 2004-02-24 | | Release date: | 2004-10-05 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Comparing the Accumulation of Active- and Nonactive-Site Mutations in the HIV-1 Protease.
Biochemistry, 43, 2004
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2IA7
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1OF1
 | | KINETICS AND CRYSTAL STRUCTURE OF THE HERPES SIMPLEX VIRUS TYPE 1 THYMIDINE KINASE INTERACTING WITH (SOUTH)-METHANOCARBA-THYMIDINE | | Descriptor: | (SOUTH)-METHANOCARBA-THYMIDINE, SULFATE ION, THYMIDINE KINASE | | Authors: | Claus, M.T, Schelling, P, Folkers, G, Marquez, V.E, Scapozza, L, Schulz, G.E. | | Deposit date: | 2003-04-03 | | Release date: | 2004-06-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Biochemical and Structural Characterization of (South)-Methanocarbathymidine that Specifically Inhibits Growth of Herpes Simplex Virus Type 1 Thymidine Kinase-Transduced Osteosarcoma Cells
J.Biol.Chem., 279, 2004
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1C50
 | | IDENTIFICATION AND STRUCTURAL CHARACTERIZATION OF A NOVEL ALLOSTERIC BINDING SITE OF GLYCOGEN PHOSPHORYLASE B | | Descriptor: | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-1YL)-2-OXOETHYL]AMIDE, PROTEIN (GLYCOGEN PHOSPHORYLASE), PYRIDOXAL-5'-PHOSPHATE | | Authors: | Oikonomakos, N.G, Skamnaki, V.T, Tsitsanou, K.E, Gavalas, N.G, Johnson, L.N. | | Deposit date: | 1999-12-15 | | Release date: | 1999-12-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A new allosteric site in glycogen phosphorylase b as a target for drug interactions.
Structure Fold.Des., 8, 2000
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1GOI
 | | Crystal structure of the D140N mutant of chitinase B from Serratia marcescens at 1.45 A resolution | | Descriptor: | CHITINASE B, GLYCEROL, SULFATE ION | | Authors: | Kolstad, G, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F. | | Deposit date: | 2001-10-21 | | Release date: | 2001-11-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure of the D140N Mutant of Chitinase B from Serratia Marcescens at 1.45 A Resolution.
Acta Crystallogr.,Sect.D, 58, 2002
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4A6C
 | | Stereoselective Synthesis, X-ray Analysis, and Biological Evaluation of a New Class of Lactam Based HIV-1 Protease Inhibitors | | Descriptor: | METHYL ((S)-1-(2-(3-((3S,4S)-3-BENZYL-4-HYDROXY-1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)-2-OXOPYRROLIDIN-3-YL)PROPYL)-2-(4-(PYRIDIN-4-YL)BENZYL)HYDRAZINYL)-3,3-DIMETHYL-1-OXOBUTAN-2-YL)CARBAMATE, POL PROTEIN | | Authors: | Wu, X, Ohrngren, P, Joshi, A.A, Trejos, A, Persson, M, Unge, J, Arvela, R.K, Wallberg, H, Vrang, L, Rosenquist, A, Samuelsson, B.B, Unge, J, Larhed, M. | | Deposit date: | 2011-11-01 | | Release date: | 2012-05-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Synthesis, X-Ray Analysis, and Biological Evaluation of a New Class of Stereopure Lactam-Based HIV-1 Protease Inhibitors.
J.Med.Chem., 55, 2012
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4PNC
 | | E. COLI METHIONINE AMINOPEPTIDASE IN COMPLEX WITH INHIBITOR 7-METHOXY-2-METHYLEN-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE | | Descriptor: | (2S)-7-methoxy-2-methyl-3,4-dihydronaphthalen-1(2H)-one, COBALT (II) ION, Methionine aminopeptidase, ... | | Authors: | Scheidig, A.J, Altmeyer, M, Klein, C.D. | | Deposit date: | 2014-05-23 | | Release date: | 2014-07-23 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Beta-aminoketones as prodrugs for selective irreversible inhibitors of type-1 methionine aminopeptidases.
Bioorg.Med.Chem.Lett., 24, 2014
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3T3C
 | | Structure of HIV PR resistant patient derived mutant (comprising 22 mutations) in complex with DRV | | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, BETA-MERCAPTOETHANOL, HIV-1 protease, ... | | Authors: | Rezacova, P, Kozisek, M, Konvalinka, J, Saskova, K.G. | | Deposit date: | 2011-07-25 | | Release date: | 2012-06-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mutations in HIV-1 gag and pol Compensate for the Loss of Viral Fitness Caused by a Highly Mutated Protease.
Antimicrob.Agents Chemother., 56, 2012
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1FOB
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2ID6
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1VRU
 | | HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES | | Descriptor: | ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-ACETYL-5-METHYLANILINO)ACETAMIDE, HIV-1 REVERSE TRANSCRIPTASE | | Authors: | Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D. | | Deposit date: | 1995-04-19 | | Release date: | 1996-04-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | High resolution structures of HIV-1 RT from four RT-inhibitor complexes.
Nat.Struct.Biol., 2, 1995
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2IG6
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4DTK
 | | Novel and selective pan-PIM kinase inhibitor | | Descriptor: | (5Z)-5-{2-[(3R)-3-aminopiperidin-1-yl]-3-(propan-2-yloxy)benzylidene}-1,3-thiazolidine-2,4-dione, 1,2-ETHANEDIOL, SULFATE ION, ... | | Authors: | Ferguson, A.D. | | Deposit date: | 2012-02-21 | | Release date: | 2012-07-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Discovery of novel benzylidene-1,3-thiazolidine-2,4-diones as potent and selective inhibitors of the PIM-1, PIM-2, and PIM-3 protein kinases.
Bioorg.Med.Chem.Lett., 22, 2012
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1NV6
 | | Fructose-1,6-Bisphosphatase Complex With Magnesium, Fructose-6-Phosphate, Phosphate, EDTA and Thallium (20 mM) | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-Bisphosphatase, HYDROGENPHOSPHATE ION, ... | | Authors: | Choe, J, Iancu, C.V, Fromm, H.J, Honzatko, R.B. | | Deposit date: | 2003-02-02 | | Release date: | 2003-07-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Interaction of Tl+ with product complexes of fructose-1,6-bisphosphatase
J.BIOL.CHEM., 278, 2003
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4DYM
 | | Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135 | | Descriptor: | 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, Activin receptor type-1, GLYCEROL, ... | | Authors: | Chaikuad, A, Sanvitale, C, Cooper, C, Canning, P, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Gileadi, O, Fedorov, O, Krojer, T, Filippakopoulos, P, Muniz, J.R.C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-02-29 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135
To be Published
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