2AZR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2azr by Molmil](/molmil-images/mine/2azr) | Crystal structure of PTP1B with Bicyclic Thiophene inhibitor | Descriptor: | 3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase, non-receptor type 1 | Authors: | Moretto, A.F, Kirincich, S.J, Xu, W.X, Smith, M.J, Wan, Z.K, Wilson, D.P, Follows, B.C, Binnun, E, Joseph-McCarthy, D, Foreman, K, Erbe, D.V, Zhang, Y.L, Tam, S.K, Tam, S.Y, Lee, J. | Deposit date: | 2005-09-12 | Release date: | 2005-12-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Bicyclic and tricyclic thiophenes as protein tyrosine phosphatase 1B inhibitors. Bioorg.Med.Chem., 14, 2006
|
|
2B07
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2b07 by Molmil](/molmil-images/mine/2b07) | Crystal structure of PTP1B with Tricyclic Thiophene inhibitor. | Descriptor: | 6-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}-3-(CARBOXYMETHOXY)THIENO[3,2-B][1]BENZOTHIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase, non-receptor type 1 | Authors: | Moretto, A.F, Kirincich, S.J, Xu, W.X, Smith, M.J, Wan, Z.K, Wilson, D.P, Follows, B.C, Binnun, E, Joseph-McCarthy, D, Foreman, K, Erbe, D.V, Zhang, Y.L, Tam, S.K, Tam, S.Y, Lee, J. | Deposit date: | 2005-09-13 | Release date: | 2005-12-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Bicyclic and tricyclic thiophenes as protein tyrosine phosphatase 1B inhibitors. Bioorg.Med.Chem., 14, 2006
|
|
1RNX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rnx by Molmil](/molmil-images/mine/1rnx) | RIBONUCLEASE A CRYSTALLIZED FROM 3M SODIUM CHLORIDE, 30% AMMONIUM SULFATE | Descriptor: | CHLORIDE ION, RIBONUCLEASE A | Authors: | Fedorov, A.A, Joseph-Mccarthy, D, Fedorov, L, Sirakova, D, Graf, I, Almo, S.C. | Deposit date: | 1996-04-23 | Release date: | 1996-11-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ionic interactions in crystalline bovine pancreatic ribonuclease A. Biochemistry, 35, 1996
|
|
1RNW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rnw by Molmil](/molmil-images/mine/1rnw) | RECOMBINANT RIBONUCLEASE A CRYSTALLIZED FROM 80% AMMONIUM SULPHATE | Descriptor: | RIBONUCLEASE A, SULFATE ION | Authors: | Fedorov, A.A, Joseph-Mccarthy, D, Fedorov, E.V, Sirakova, D, Graf, I, Almo, S.C. | Deposit date: | 1996-11-08 | Release date: | 1997-04-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ionic interactions in crystalline bovine pancreatic ribonuclease A. Biochemistry, 35, 1996
|
|
1RNY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rny by Molmil](/molmil-images/mine/1rny) | RIBONUCLEASE A CRYSTALLIZED FROM 3M CESIUM CHLORIDE, 30% AMMONIUM SULFATE | Descriptor: | CESIUM ION, CHLORIDE ION, RIBONUCLEASE A | Authors: | Fedorov, A.A, Joseph-Mccarthy, D, Fedorov, L, Sirakova, D, Graf, I, Almo, S.C. | Deposit date: | 1996-04-23 | Release date: | 1996-11-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ionic interactions in crystalline bovine pancreatic ribonuclease A. Biochemistry, 35, 1996
|
|
4HEJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hej by Molmil](/molmil-images/mine/4hej) | Discovery of Selective and Potent Inhibitors of Gram-positive Bacterial Thymidylate Kinase (TMK): Compund 16 | Descriptor: | 5-methyl-1-[(3S)-1-{3-[3-(trifluoromethyl)phenoxy]benzyl}piperidin-3-yl]pyrimidine-2,4(1H,3H)-dione, Thymidylate kinase | Authors: | Martinez-Botella, G, Breen, J, Duffy, J, Dumas, J, Geng, B, Gowers, I, Green, O, Guler, S, Hentemann, M, Hernandez-Juan, F, Joseph-McCarthy, D, Kawatkar, S, Larsen, N, Lazari, O, Loch, J, Macritchie, J. | Deposit date: | 2012-10-03 | Release date: | 2012-10-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Selective and Potent Inhibitors of Gram-Positive Bacterial Thymidylate Kinase (TMK). J.Med.Chem., 55, 2012
|
|
2PJT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pjt by Molmil](/molmil-images/mine/2pjt) | Crystal structure of the catalytic domain of MMP-13 complexed with WAY-344 | Descriptor: | CALCIUM ION, Collagenase 3, TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-1-CARBOXYLATE, ... | Authors: | Xu, Z, Huang, A, Lovering, F, Levin, J.I, Mosyak, L. | Deposit date: | 2007-04-16 | Release date: | 2008-04-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based design of TACE selective inhibitors: manipulations in the S1'-S3' pocket. Bioorg.Med.Chem., 15, 2007
|
|
1XJD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1xjd by Molmil](/molmil-images/mine/1xjd) | |
2QBS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qbs by Molmil](/molmil-images/mine/2qbs) | Crystal structure of ptp1b-inhibitor complex | Descriptor: | 4-BROMO-3-(CARBOXYMETHOXY)-5-[3-(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Xu, W. | Deposit date: | 2007-06-18 | Release date: | 2008-03-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site. J.Med.Chem., 50, 2007
|
|
2QBR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qbr by Molmil](/molmil-images/mine/2qbr) | Crystal structure of ptp1b-inhibitor complex | Descriptor: | 5-[3-(BENZYLAMINO)PHENYL]-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Xu, W. | Deposit date: | 2007-06-18 | Release date: | 2008-03-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site. J.Med.Chem., 50, 2007
|
|
2QBQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qbq by Molmil](/molmil-images/mine/2qbq) | Crystal structure of ptp1b-inhibitor complex | Descriptor: | 4-BROMO-3-(CARBOXYMETHOXY)-5-{3-[(3,3,5,5-TETRAMETHYLCYCLOHEXYL)AMINO]PHENYL}THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Xu, W. | Deposit date: | 2007-06-18 | Release date: | 2008-03-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site. J.Med.Chem., 50, 2007
|
|
2QBP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2qbp by Molmil](/molmil-images/mine/2qbp) | Crystal structure of ptp1b-inhibitor complex | Descriptor: | 5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Xu, W. | Deposit date: | 2007-06-18 | Release date: | 2008-03-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site. J.Med.Chem., 50, 2007
|
|
1DB3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1db3 by Molmil](/molmil-images/mine/1db3) | E.COLI GDP-MANNOSE 4,6-DEHYDRATASE | Descriptor: | GDP-MANNOSE 4,6-DEHYDRATASE | Authors: | Somoza, J.R, Menon, S, Somers, W.S, Sullivan, F.X. | Deposit date: | 1999-11-02 | Release date: | 1999-11-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and kinetic analysis of Escherichia coli GDP-mannose 4,6 dehydratase provides insights into the enzyme's catalytic mechanism and regulation by GDP-fucose. Structure Fold.Des., 8, 2000
|
|
2NTA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nta by Molmil](/molmil-images/mine/2nta) | Crystal Structure of PTP1B-inhibitor Complex | Descriptor: | 5-(4-CHLORO-5-PHENYL-3-THIENYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Xu, W, Follows, B. | Deposit date: | 2006-11-07 | Release date: | 2007-04-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Probing acid replacements of thiophene PTP1B inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
|
|
2NT7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2nt7 by Molmil](/molmil-images/mine/2nt7) | Crystal structure of PTP1B-inhibitor complex | Descriptor: | Tyrosine-protein phosphatase non-receptor type 1, {[5-(3-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}PHENYL)-4-BROMO-2-(2H-TETRAZOL-5-YL)-3-THIENYL]OXY}ACETIC ACID | Authors: | Xu, W, Follows, B. | Deposit date: | 2006-11-07 | Release date: | 2007-04-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Probing acid replacements of thiophene PTP1B inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
|
|
2ZN7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2zn7 by Molmil](/molmil-images/mine/2zn7) | CRYSTAL STRUCTURES OF PTP1B-Inhibitor Complexes | Descriptor: | 4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene-2-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Xu, W, Wu, J. | Deposit date: | 2008-04-22 | Release date: | 2008-10-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based optimization of protein tyrosine phosphatase-1 B inhibitors: capturing interactions with arginine 24 Chemmedchem, 3, 2008
|
|
2ZMM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2zmm by Molmil](/molmil-images/mine/2zmm) | Crystal structure of PTP1B-inhibitor complex | Descriptor: | 4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(methylcarbamoyl)amino]phenyl}thiophene-2-carboxylic acid, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Xu, W, Wu, J. | Deposit date: | 2008-04-19 | Release date: | 2008-10-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based optimization of protein tyrosine phosphatase-1 B inhibitors: capturing interactions with arginine 24 Chemmedchem, 3, 2008
|
|
1RNQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rnq by Molmil](/molmil-images/mine/1rnq) | RIBONUCLEASE A CRYSTALLIZED FROM 8M SODIUM FORMATE | Descriptor: | FORMIC ACID, RIBONUCLEASE A | Authors: | Fedorov, A.A, Josef-Mccarthy, D, Graf, I, Anguelova, D, Fedorov, E.V, Almo, S.C. | Deposit date: | 1995-11-08 | Release date: | 1996-04-03 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ionic interactions in crystalline bovine pancreatic ribonuclease A. Biochemistry, 35, 1996
|
|
1RNO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rno by Molmil](/molmil-images/mine/1rno) | RIBONUCLEASE A CRYSTALLIZED FROM 80% AMMONIUM SULPHATE | Descriptor: | RIBONUCLEASE A, SULFATE ION | Authors: | Fedorov, A.A, Josef-Mccarthy, D, Graf, I, Anguelova, D, Fedorov, E.V, Almo, S.C. | Deposit date: | 1995-11-08 | Release date: | 1996-04-03 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ionic interactions in crystalline bovine pancreatic ribonuclease A. Biochemistry, 35, 1996
|
|
3FY1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fy1 by Molmil](/molmil-images/mine/3fy1) | The Acidic Mammalian Chitinase catalytic domain in complex with methylallosamidin | Descriptor: | 2-acetamido-2-deoxy-6-O-methyl-alpha-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, Acidic mammalian chitinase | Authors: | Olland, A.M. | Deposit date: | 2009-01-21 | Release date: | 2009-03-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Triad of polar residues implicated in pH specificity of acidic mammalian chitinase. Protein Sci., 18, 2009
|
|
3FXY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fxy by Molmil](/molmil-images/mine/3fxy) | Acidic Mammalian Chinase, Catalytic Domain | Descriptor: | Acidic mammalian chitinase | Authors: | Olland, A.M. | Deposit date: | 2009-01-21 | Release date: | 2009-03-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Triad of polar residues implicated in pH specificity of acidic mammalian chitinase. Protein Sci., 18, 2009
|
|
1RNZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1rnz by Molmil](/molmil-images/mine/1rnz) | RIBONUCLEASE A CRYSTALLIZED FROM 2.5M SODIUM CHLORIDE, 3.3M SODIUM FORMATE | Descriptor: | CHLORIDE ION, RIBONUCLEASE A | Authors: | Fedorov, A.A, Josph-Mccarthy, D, Fedorov, E.V, Sirakova, D, Graf, I, Almo, S.C. | Deposit date: | 1996-11-08 | Release date: | 1997-04-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ionic interactions in crystalline bovine pancreatic ribonuclease A. Biochemistry, 35, 1996
|
|
2H4G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2h4g by Molmil](/molmil-images/mine/2h4g) | Crystal structure of PTP1B with monocyclic thiophene inhibitor | Descriptor: | 4-BROMO-3-(CARBOXYMETHOXY)-5-(4-HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Xu, W, Wan, Z.-K. | Deposit date: | 2006-05-24 | Release date: | 2006-08-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Monocyclic thiophenes as protein tyrosine phosphatase 1B inhibitors: Capturing interactions with Asp48. Bioorg.Med.Chem.Lett., 16, 2006
|
|
2HB1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2hb1 by Molmil](/molmil-images/mine/2hb1) | Crystal Structure of PTP1B with Monocyclic Thiophene Inhibitor | Descriptor: | 4-BROMO-3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Xu, W, Wan, Z.-K, Lee, J. | Deposit date: | 2006-06-13 | Release date: | 2006-08-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Monocyclic thiophenes as protein tyrosine phosphatase 1B inhibitors: Capturing interactions with Asp48. Bioorg.Med.Chem.Lett., 16, 2006
|
|
2H4K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2h4k by Molmil](/molmil-images/mine/2h4k) | Crystal structure of PTP1B with a monocyclic thiophene inhibitor | Descriptor: | 4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Xu, W, Wan, Z.-K. | Deposit date: | 2006-05-24 | Release date: | 2006-08-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Monocyclic thiophenes as protein tyrosine phosphatase 1B inhibitors: Capturing interactions with Asp48. Bioorg.Med.Chem.Lett., 16, 2006
|
|