2EWY
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5HWJ
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![BU of 5hwj by Molmil](/molmil-images/mine/5hwj) | Crystal structure of keto-deoxy-D-galactarate dehydratase | Descriptor: | FORMIC ACID, GLYCEROL, Probable 5-dehydro-4-deoxyglucarate dehydratase | Authors: | Taberman, H, Parkkinen, T, Hakulinen, N, Rouvinen, J. | Deposit date: | 2016-01-29 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.648 Å) | Cite: | Structure and function of a decarboxylating Agrobacterium tumefaciens keto-deoxy-d-galactarate dehydratase. Biochemistry, 53, 2014
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2ZEV
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![BU of 2zev by Molmil](/molmil-images/mine/2zev) | S. Cerevisiae Geranylgeranyl Pyrophosphate Synthase in Complex with Magnesium, IPP and BPH-715 | Descriptor: | 3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, ... | Authors: | Guo, R.T, Chen, C.K.-M, Cao, R, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-12-17 | Release date: | 2008-12-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation J.Am.Chem.Soc., 131, 2009
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3CA0
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![BU of 3ca0 by Molmil](/molmil-images/mine/3ca0) | Sambucus nigra agglutinin II (SNA-II), hexagonal crystal form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Agglutinin II, ... | Authors: | Maveyraud, L, Niwa, H, Guillet, V, Palmer, R.A, Reynolds, C.D, Mourey, L. | Deposit date: | 2008-02-19 | Release date: | 2008-11-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for sugar recognition, including the Tn carcinoma antigen, by the lectin SNA-II from Sambucus nigra Proteins, 75, 2009
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2D5H
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![BU of 2d5h by Molmil](/molmil-images/mine/2d5h) | Crystal Structure of Recombinant Soybean Proglycinin A3B4 subunit, its Comparison with Mature Glycinin A3B4 subunit, Responsible for Hexamer Assembly | Descriptor: | CARBONATE ION, MAGNESIUM ION, glycinin A3B4 subunit | Authors: | Itoh, T, Adachi, M, Masuda, T, Mikami, B, Utsumi, S. | Deposit date: | 2005-11-01 | Release date: | 2006-11-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Conservation and divergence on plant seed 11S globulins based on crystal structures. Biochim.Biophys.Acta, 2010
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2D4M
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3C7X
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![BU of 3c7x by Molmil](/molmil-images/mine/3c7x) | Hemopexin-like domain of matrix metalloproteinase 14 | Descriptor: | CHLORIDE ION, Matrix metalloproteinase-14, SODIUM ION | Authors: | Tochowicz, A, Itoh, Y, Maskos, K, Bode, W, Goettig, P. | Deposit date: | 2008-02-08 | Release date: | 2009-02-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The dimer interface of the membrane type 1 matrix metalloproteinase hemopexin domain: crystal structure and biological functions J.Biol.Chem., 286, 2011
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3CA5
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![BU of 3ca5 by Molmil](/molmil-images/mine/3ca5) | Crystal structure of Sambucus nigra agglutinin II (SNA-II)-tetragonal crystal form- complexed to alpha1 methylgalactose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Maveyraud, L, Mourey, L. | Deposit date: | 2008-02-19 | Release date: | 2008-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural basis for sugar recognition, including the Tn carcinoma antigen, by the lectin SNA-II from Sambucus nigra Proteins, 75, 2009
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5HNI
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![BU of 5hni by Molmil](/molmil-images/mine/5hni) | CRYSTAL STRUCTURE OF CMET WT with compound 3 | Descriptor: | Hepatocyte growth factor receptor, methyl (6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1H-benzimidazol-2-yl)carbamate | Authors: | Vallee, F, Houtmann, J. | Deposit date: | 2016-01-18 | Release date: | 2016-11-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844). J.Med.Chem., 59, 2016
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5HO6
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![BU of 5ho6 by Molmil](/molmil-images/mine/5ho6) | CRYSTAL STRUCTURE OF CMET IN COMPLEX WITH CMPD. | Descriptor: | 1-(6-{[6-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1,3-benzothiazol-2-yl)-3-[2-(morpholin-4-yl)ethyl]urea, Hepatocyte growth factor receptor | Authors: | Vallee, F, Houtmann, J. | Deposit date: | 2016-01-19 | Release date: | 2016-11-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Discovery and Pharmacokinetic and Pharmacological Properties of the Potent and Selective MET Kinase Inhibitor 1-{6-[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl]benzothiazol-2-yl}-3-(2-morpholin-4-ylethyl)urea (SAR125844). J.Med.Chem., 59, 2016
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2D4L
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3CAH
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![BU of 3cah by Molmil](/molmil-images/mine/3cah) | Sambucus nigra aggutinin II. tetragonal crystal form- complexed to fucose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Maveyraud, L, Mourey, L. | Deposit date: | 2008-02-20 | Release date: | 2008-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural basis for sugar recognition, including the Tn carcinoma antigen, by the lectin SNA-II from Sambucus nigra Proteins, 75, 2009
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5HEZ
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![BU of 5hez by Molmil](/molmil-images/mine/5hez) | JAK2 kinase (JH1 domain) mutant P1057A in complex with TG101209 | Descriptor: | CHLORIDE ION, N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide, Tyrosine-protein kinase JAK2, ... | Authors: | Ultsch, M, Eigenbrot, C. | Deposit date: | 2016-01-06 | Release date: | 2016-11-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Resolving TYK2 locus genotype-to-phenotype differences in autoimmunity. Sci Transl Med, 8, 2016
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2FH3
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![BU of 2fh3 by Molmil](/molmil-images/mine/2fh3) | C-terminal half of gelsolin soaked in low calcium at pH 8 | Descriptor: | CALCIUM ION, Gelsolin | Authors: | Chumnarnsilpa, S, Loonchanta, A, Xue, B, Choe, H, Urosev, D, Wang, H, Burtnick, L.D, Robinson, R.C. | Deposit date: | 2005-12-23 | Release date: | 2006-06-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Calcium ion exchange in crystalline gelsolin J.Mol.Biol., 357, 2006
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2F7E
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![BU of 2f7e by Molmil](/molmil-images/mine/2f7e) | PKA complexed with (S)-2-(1H-Indol-3-yl)-1-(5-isoquinolin-6-yl-pyridin-3-yloxymethyl-etylamine | Descriptor: | (1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN-6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE, PKI inhibitory peptide, cAMP-dependent protein kinase, ... | Authors: | Stoll, V.S. | Deposit date: | 2005-11-30 | Release date: | 2006-06-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer. Bioorg.Med.Chem.Lett., 16, 2006
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3CA1
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![BU of 3ca1 by Molmil](/molmil-images/mine/3ca1) | Sambucus nigra agglutinin II (SNA-II)- tetragonal crystal form- complexed to galactose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Maveyraud, L, Mourey, L. | Deposit date: | 2008-02-19 | Release date: | 2008-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural basis for sugar recognition, including the Tn carcinoma antigen, by the lectin SNA-II from Sambucus nigra Proteins, 75, 2009
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3C9Z
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![BU of 3c9z by Molmil](/molmil-images/mine/3c9z) | Sambucus nigra agglutinin II (SNA-II), tetragonal crystal form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Maveyraud, L, Guillet, V, Mourey, L. | Deposit date: | 2008-02-19 | Release date: | 2008-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural basis for sugar recognition, including the Tn carcinoma antigen, by the lectin SNA-II from Sambucus nigra Proteins, 75, 2009
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3CDE
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![BU of 3cde by Molmil](/molmil-images/mine/3cde) | Crystal structure of HCV NS5B polymerase with a novel Pyridazinone inhibitor | Descriptor: | N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | Authors: | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | Deposit date: | 2008-02-26 | Release date: | 2009-03-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 3: Further optimization of the 2-, 6-, and 7'-substituents and initial pharmacokinetic assessments. Bioorg.Med.Chem.Lett., 18, 2008
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2DOR
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3CUV
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![BU of 3cuv by Molmil](/molmil-images/mine/3cuv) | Tracking structure activity relationships of glycogen phosphorylase inhibitors: synthesis, kinetic and crystallographic evaluation of analogues of N-(-D-glucopyranosyl)-N'-oxamides | Descriptor: | DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ... | Authors: | Kyritsi, C, Chrysina, E.D, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G. | Deposit date: | 2008-04-17 | Release date: | 2009-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Tracking structure activity relationships of glycogen phosphorylase inhibitors: synthesis, kinetic and crystallographic evaluation of analogues of N-(-D-glucopyranosyl)-N'-oxamides To be Published
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3CVZ
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![BU of 3cvz by Molmil](/molmil-images/mine/3cvz) | |
2FH2
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![BU of 2fh2 by Molmil](/molmil-images/mine/2fh2) | C-terminal half of gelsolin soaked in EGTA at pH 4.5 | Descriptor: | CALCIUM ION, Gelsolin | Authors: | Chumnarnsilpa, S, Loonchanta, A, Xue, B, Choe, H, Urosev, D, Wang, H, Burtnick, L.D, Robinson, R.C. | Deposit date: | 2005-12-23 | Release date: | 2006-06-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Calcium ion exchange in crystalline gelsolin J.Mol.Biol., 357, 2006
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2ORO
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![BU of 2oro by Molmil](/molmil-images/mine/2oro) | Murine inducible nitric oxide synthase oxygenase domain (delta 114) (r)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-pyrrolidine-2-carboxylic acid (2-benzo[1,3]dioxol-5-yl-ethyl)-amide complex | Descriptor: | N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE, PROTOPORPHYRIN IX CONTAINING FE, SULFITE ION, ... | Authors: | Adler, M, Whitlow, M. | Deposit date: | 2007-02-04 | Release date: | 2007-04-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors J.Med.Chem., 50, 2007
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2CUT
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![BU of 2cut by Molmil](/molmil-images/mine/2cut) | |
3CUW
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![BU of 3cuw by Molmil](/molmil-images/mine/3cuw) | Crystal structure of glycogen phosphorylase b in complex with N-(-D-glucopyranosyl)-N'-(2-naphthyl)oxamides | Descriptor: | Glycogen phosphorylase, muscle form, N-[oxo(phenylamino)acetyl]-beta-D-glucopyranosylamine | Authors: | Kyritsi, C, Chrysina, E.D, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G. | Deposit date: | 2008-04-17 | Release date: | 2009-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Tracking structure activity relationships of glycogen phosphorylase inhibitors: synthesis, kinetic and crystallographic evaluation of analogues of N-(-D-glucopyranosyl)-N'-oxamides To be Published
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