3DT0
 
 | | Understanding Thrombin Inhibition | | Descriptor: | Hirudin variant-1, N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide, SODIUM ION, ... | | Authors: | Baum, B, Heine, A, Klebe, G. | | Deposit date: | 2008-07-14 | | Release date: | 2009-06-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Understanding Thrombin Inhibition
To be Published
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4JX7
 | | Crystal structure of Pim1 kinase in complex with inhibitor 2-[(trans-4-aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6H)-one | | Descriptor: | 2-[(trans-4-aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6H)-one, PIM1 consensus peptide, Serine/threonine-protein kinase pim-1 | | Authors: | Lee, S.J, Han, B.G, Cho, J.W, Choi, J.S, Lee, J.K, Song, H.J, Koh, J.S, Lee, B.I. | | Deposit date: | 2013-03-27 | | Release date: | 2013-08-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of pim1 kinase in complex with a pyrido[4,3-d]pyrimidine derivative suggests a unique binding mode.
Plos One, 8, 2013
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4JMA
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 3-Fluorocatechol | | Descriptor: | 3-FLUOROBENZENE-1,2-DIOL, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Boyce, S.E, Fischer, M, Fish, I. | | Deposit date: | 2013-03-13 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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1MZC
 | | Co-Crystal Structure Of Human Farnesyltransferase With Farnesyldiphosphate and Inhibitor Compound 33a | | Descriptor: | 2-[3-(3-ETHYL-1-METHYL-2-OXO-AZEPAN-3-YL)-PHENOXY]-4-[1-AMINO-1-(1-METHYL-1H-IMIDIZOL-5-YL)-ETHYL]-BENZONITRILE, FARNESYL DIPHOSPHATE, Protein Farnesyltransferase alpha Subunit, ... | | Authors: | deSolms, S.J, Ciccarone, T.M, MacTough, S.C, Shaw, A.W, Buser, C.A, Ellis-Hutchings, M, Fernandes, C, Hamilton, K.A, Huber, H.E, Kohl, N.E, Lobell, R.B, Robinson, R.G, Tsou, N.N, Walsh, E.S, Graham, S.L, Beese, L.S, Taylor, J.S. | | Deposit date: | 2002-10-07 | | Release date: | 2003-07-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dual Protein Farnesyltransferase-Geranylgeranyltransferase-I Inhibitors as Potential Cancer Chemotherapeutic Agents.
J.Med.Chem., 46, 2003
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4JXY
 | | CRYSTAL STRUCTURE OF POLYPRENYL SYNTHASE PATL_3739 (TARGET EFI-509195) FROM Pseudoalteromonas atlantica | | Descriptor: | GLUTARIC ACID, PHOSPHATE ION, Trans-hexaprenyltranstransferase | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-03-28 | | Release date: | 2013-04-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | CRYSTAL STRUCTURE OF ISOPRENOID SYNTHASE PATL_3739 FROM Pseudoalteromonas atlantica
To be Published
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4JY2
 | | Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, native and unliganded form | | Descriptor: | 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase, BETA-MERCAPTOETHANOL, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Kobayashi, J, Yoshida, H, Kamitori, S, Hayashi, H, Mizutani, K, Takahashi, N, Mikami, B, Yagi, T. | | Deposit date: | 2013-03-28 | | Release date: | 2014-04-02 | | Method: | X-RAY DIFFRACTION (1.935 Å) | | Cite: | Crystal structure of 2-methyl-3-hydroxypyridine-5-carboxylic acid oxygenase
To be Published
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1N2A
 | | Crystal Structure of a Bacterial Glutathione Transferase from Escherichia coli with Glutathione Sulfonate in the Active Site | | Descriptor: | GLUTATHIONE SULFONIC ACID, Glutathione S-transferase | | Authors: | Rife, C.L, Parsons, J.F, Xiao, G, Gilliland, G.L, Armstrong, R.N. | | Deposit date: | 2002-10-22 | | Release date: | 2003-11-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Conserved structural elements in glutathione transferase homologues encoded in the genome of Escherichia coli
Proteins, 53, 2003
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1N1J
 | | Crystal structure of the NF-YB/NF-YC histone pair | | Descriptor: | NF-YB, NF-YC | | Authors: | Romier, C, Cocchiarella, F, Mantovani, R, Moras, D. | | Deposit date: | 2002-10-18 | | Release date: | 2003-02-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | The NF-YB/NF-YC structure gives insight into DNA binding and transcription regulation by CCAAT factor NF-Y
J.Biol.Chem., 278, 2003
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3DWJ
 | | Heme-proximal W188H mutant of inducible nitric oxide synthase | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, AMMONIUM ION, Nitric oxide synthase, ... | | Authors: | Tejero, J, Biswas, A, Wang, Z.-Q, Haque, M.M, Hemann, C, Zweier, J.L, Page, R.C, Misra, S, Stuehr, D.J. | | Deposit date: | 2008-07-22 | | Release date: | 2008-09-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Stabilization and Characterization of a Heme-Oxy Reaction Intermediate in Inducible Nitric-oxide Synthase
J.Biol.Chem., 283, 2008
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1N29
 | | Crystal structure of the N1A mutant of human group IIA phospholipase A2 | | Descriptor: | CALCIUM ION, Phospholipase A2, membrane associated | | Authors: | Edwards, S.H, Thompson, D, Baker, S.F, Wood, S.P, Wilton, D.C. | | Deposit date: | 2002-10-22 | | Release date: | 2003-10-28 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The crystal structure of the H48Q active site mutant of human group IIA secreted phospholipase A2 at 1.5 A resolution provides an insight into the catalytic mechanism
Biochemistry, 41, 2002
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4J6V
 | | Crystal Structure of Tyrosinase from Bacillus megaterium N205D mutant | | Descriptor: | COPPER (II) ION, Tyrosinase | | Authors: | Kanteev, M, Goldfeder, M, Adir, N, Fishman, A. | | Deposit date: | 2013-02-12 | | Release date: | 2013-12-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The mechanism of copper uptake by tyrosinase from Bacillus megaterium.
J.Biol.Inorg.Chem., 18, 2013
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4JSH
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-methyl-6-((3-(piperidin-4-ylmethoxy)phenoxy)methyl)pyridin-2-amine | | Descriptor: | 4-methyl-6-{[3-(piperidin-4-ylmethoxy)phenoxy]methyl}pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2013-03-22 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures.
Bioorg.Med.Chem., 21, 2013
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2DAE
 | | Solution Structure of the N-terminal CUE Domain in the Human Mitogen-activated Protein Kinase Kinase Kinase 7 Interacting Protein 2 (MAP3K7IP2) | | Descriptor: | KIAA0733 protein | | Authors: | Zhao, C, Kigawa, T, Sato, M, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-12-14 | | Release date: | 2007-02-20 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the N-terminal CUE Domain in the Human Mitogen-activated Protein Kinase Kinase Kinase 7 Interacting Protein 2 (MAP3K7IP2)
To be Published
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1N47
 | | Isolectin B4 from Vicia villosa in complex with the Tn antigen | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, Isolectin B4, ... | | Authors: | Babino, A, Tello, D, Rojas, A, Bay, S, Osinaga, E, Alzari, P.M. | | Deposit date: | 2002-10-30 | | Release date: | 2003-02-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The crystal structure of a plant lectin in complex with the Tn antigen
FEBS Lett., 536, 2003
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4J7R
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4J91
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3GN0
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1MXC
 | | S-ADENOSYLMETHIONINE SYNTHETASE WITH 8-BR-ADP | | Descriptor: | 8-BROMOADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Takusagawa, F, Kamitori, S, Markham, G.D. | | Deposit date: | 1996-01-10 | | Release date: | 1996-07-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure and function of S-adenosylmethionine synthetase: crystal structures of S-adenosylmethionine synthetase with ADP, BrADP, and PPi at 28 angstroms resolution.
Biochemistry, 35, 1996
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3GOX
 | | Crystal structure of the beta-beta-alpha-Me type II restriction endonuclease Hpy99I in the absence of EDTA | | Descriptor: | 5'-(*DCP*DTP*DCP*DGP*DAP*DCP*DGP*DTP*DAP*DGP*DA)-3', 5'-(*DTP*DAP*DCP*DGP*DTP*DCP*DGP*DAP*DGP*DTP*DC)-3', PENTAETHYLENE GLYCOL, ... | | Authors: | Sokolowska, M, Czapinska, H, Bochtler, M. | | Deposit date: | 2009-03-20 | | Release date: | 2009-04-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of the beta beta alpha-Me type II restriction endonuclease Hpy99I with target DNA.
Nucleic Acids Res., 37, 2009
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1MSV
 | | The S68A S-adenosylmethionine decarboxylase proenzyme processing mutant. | | Descriptor: | 1,4-DIAMINOBUTANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, S-adenosylmethionine decarboxylase proenzyme | | Authors: | Tolbert, W.D, Zhang, Y, Bennett, E.M, Cottet, S.E, Ekstrom, J.L, Pegg, A.E, Ealick, S.E. | | Deposit date: | 2002-09-19 | | Release date: | 2003-03-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Mechanism of Human S-Adenosylmethionine
Decarboxylase Proenzyme Processing as Revealed by the
Structure of the S68A Mutant.
Biochemistry, 42, 2003
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3GW4
 | | Crystal structure of uncharacterized protein from Deinococcus radiodurans. Northeast Structural Genomics Consortium Target DrR162B. | | Descriptor: | Uncharacterized protein | | Authors: | Kuzin, A.P, Abashidze, M, Seetharaman, J, Sahdev, S, Xiao, R, Foote, E.L, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-03-31 | | Release date: | 2009-04-21 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Northeast Structural Genomics Consortium Target DrR162B
To be published
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1MZD
 | | crystal structure of human pro-granzyme K | | Descriptor: | pro-granzyme K | | Authors: | Hink-Schauer, C, Estebanez-Perpina, E, Wilharm, E, Fuentes-Prior, P, Klinkert, W, Bode, W, Jenne, D.E. | | Deposit date: | 2002-10-07 | | Release date: | 2003-01-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The 2.2-A Crystal Structure of Human Pro-granzyme K Reveals a Rigid Zymogen with Unusual Features
J.BIOL.CHEM., 277, 2002
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3GWT
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3GZ2
 | | Crystal structure of IpgC in complex with an IpaB peptide | | Descriptor: | Chaperone protein ipgC, GLYCEROL, IMIDAZOLE, ... | | Authors: | Lokareddy, R.K, Lunelli, M, Kolbe, M. | | Deposit date: | 2009-04-06 | | Release date: | 2010-04-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Combination of two separate binding domains defines stoichiometry between type III secretion system chaperone IpgC and translocator protein IpaB
J.Biol.Chem., 285, 2010
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2G5T
 | | Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ag | | Descriptor: | 3-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-4-CHLOROBENZOIC ACID, Dipeptidyl peptidase 4 | | Authors: | Longenecker, K.L, Fry, E.H, Lake, M.R, Solomon, L.R, Pei, Z, Li, X. | | Deposit date: | 2006-02-23 | | Release date: | 2006-07-04 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors.
J.Med.Chem., 49, 2006
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