6OKO
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4WVT
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![BU of 4wvt by Molmil](/molmil-images/mine/4wvt) | Crystal structure of XIAP-BIR2 domain complexed with ligand bound | Descriptor: | 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Pokross, M.E. | Deposit date: | 2014-11-07 | Release date: | 2015-03-04 | Last modified: | 2015-04-08 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity. J.Med.Chem., 58, 2015
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4WVU
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![BU of 4wvu by Molmil](/molmil-images/mine/4wvu) | CRYSTAL STRUCTURE OF XIAP-BIR2 DOMAIN COMPLEXED WITH LIGAND BOUND | Descriptor: | 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, GLYCEROL, ... | Authors: | Pokross, M.E. | Deposit date: | 2014-11-07 | Release date: | 2015-03-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity. J.Med.Chem., 58, 2015
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4WVS
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![BU of 4wvs by Molmil](/molmil-images/mine/4wvs) | Crystal structure of XIAP-BIR2 domain complexed with (S)-3-(4-methoxyphenyl)-2-((S)-2-((S)-1-((S)-2-((S)-2-(methylamino)propanamido)pent-4-ynoyl)pyrrolidine-2-carboxamido)-3-phenylpropanamido)propanoic acid | Descriptor: | 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM, E3 ubiquitin-protein ligase XIAP, GLYCEROL, ... | Authors: | Pokross, M.E. | Deposit date: | 2014-11-07 | Release date: | 2015-05-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | The Discovery of Macrocyclic XIAP Antagonists from a DNA-Programmed Chemistry Library, and Their Optimization To Give Lead Compounds with in Vivo Antitumor Activity. J.Med.Chem., 58, 2015
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2HFP
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![BU of 2hfp by Molmil](/molmil-images/mine/2hfp) | Crystal Structure of PPAR Gamma with N-sulfonyl-2-indole carboxamide ligands | Descriptor: | 3-(4-METHOXYPHENYL)-N-(PHENYLSULFONYL)-1-[3-(TRIFLUOROMETHYL)BENZYL]-1H-INDOLE-2-CARBOXAMIDE, Peroxisome proliferator-activated receptor gamma, SRC Peptide Fragment | Authors: | Pokross, M.E, Evdokimov, A.G, Walter, R.L, Mekel, M.J, Hopkins, C.R. | Deposit date: | 2006-06-25 | Release date: | 2006-09-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and synthesis of novel N-sulfonyl-2-indole carboxamides as potent PPAR-gamma binding agents with potential application to the treatment of osteoporosis. Bioorg.Med.Chem.Lett., 16, 2006
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2F6Z
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![BU of 2f6z by Molmil](/molmil-images/mine/2f6z) | Protein tyrosine phosphatase 1B with sulfamic acid inhibitors | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Tyrosine-protein phosphatase, ... | Authors: | Evdokimov, A.G, Pokross, M.E, Klopfenstein, S.R. | Deposit date: | 2005-11-29 | Release date: | 2005-12-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 1,2,3,4-Tetrahydroisoquinolinyl sulfamic acids as phosphatase PTP1B inhibitors Bioorg.Med.Chem.Lett., 16, 2006
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2F71
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![BU of 2f71 by Molmil](/molmil-images/mine/2f71) | Protein tyrosine phosphatase 1B with sulfamic acid inhibitors | Descriptor: | 3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-3-OXO-PROPYL]-BENZOIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Evdokimov, A.G, Pokross, M.E, Klopfenstein, S.R. | Deposit date: | 2005-11-29 | Release date: | 2005-12-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | 1,2,3,4-Tetrahydroisoquinolinyl sulfamic acids as phosphatase PTP1B inhibitors Bioorg.Med.Chem.Lett., 16, 2006
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2F6W
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![BU of 2f6w by Molmil](/molmil-images/mine/2f6w) | Protein tyrosine phosphatase 1B with sulfamic acid inhibitors | Descriptor: | (2-METHYL-5-PHENYL-2H-PYRAZOL-3-YL)-SULFAMIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Evdokimov, A.G, Pokross, M.E, Klopfenstein, S.R. | Deposit date: | 2005-11-29 | Release date: | 2005-12-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 1,2,3,4-Tetrahydroisoquinolinyl sulfamic acids as phosphatase PTP1B inhibitors Bioorg.Med.Chem.Lett., 16, 2006
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2F6V
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![BU of 2f6v by Molmil](/molmil-images/mine/2f6v) | Protein tyrosine phosphatase 1B with sulfamic acid inhibitors | Descriptor: | (3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Evdokimov, A.G, Pokross, M.E, Klopfenstein, S.R. | Deposit date: | 2005-11-29 | Release date: | 2005-12-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 1,2,3,4-Tetrahydroisoquinolinyl sulfamic acids as phosphatase PTP1B inhibitors Bioorg.Med.Chem.Lett., 16, 2006
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2F6Y
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![BU of 2f6y by Molmil](/molmil-images/mine/2f6y) | Protein tyrosine phosphatase 1B with sulfamic acid inhibitors | Descriptor: | 3(R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Evdokimov, A.G, Pokross, M.E, Klopfenstein, S.R. | Deposit date: | 2005-11-29 | Release date: | 2005-12-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | 1,2,3,4-Tetrahydroisoquinolinyl sulfamic acids as phosphatase PTP1B inhibitors Bioorg.Med.Chem.Lett., 16, 2006
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2F70
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![BU of 2f70 by Molmil](/molmil-images/mine/2f70) | Protein tyrosine phosphatase 1B with sulfamic acid inhibitors | Descriptor: | (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-METHYL}-PHENYL)-SULFAMIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Evdokimov, A.G, Pokross, M.E, Klopfenstein, S.R. | Deposit date: | 2005-11-29 | Release date: | 2005-12-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | 1,2,3,4-Tetrahydroisoquinolinyl sulfamic acids as phosphatase PTP1B inhibitors Bioorg.Med.Chem.Lett., 16, 2006
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1HY7
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![BU of 1hy7 by Molmil](/molmil-images/mine/1hy7) | A CARBOXYLIC ACID BASED INHIBITOR IN COMPLEX WITH MMP3 | Descriptor: | CALCIUM ION, R-2-{[4'-METHOXY-(1,1'-BIPHENYL)-4-YL]-SULFONYL}-AMINO-6-METHOXY-HEX-4-YNOIC ACID, STROMELYSIN-1, ... | Authors: | Natchus, M.G, Bookland, R.G, Laufersweiler, M.J, Pikul, S, Almstead, N.G, De, B, Janusz, M.J, Hsieh, L.C, Gu, F, Pokross, M.E, Patel, V.S, Garver, S.M, Peng, S.X, Branch, T.M, King, S.L, Baker, T.R, Foltz, D.J, Mieling, G.E. | Deposit date: | 2001-01-18 | Release date: | 2002-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Development of new carboxylic acid-based MMP inhibitors derived from functionalized propargylglycines. J.Med.Chem., 44, 2001
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2G6X
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![BU of 2g6x by Molmil](/molmil-images/mine/2g6x) | |
2G6Y
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![BU of 2g6y by Molmil](/molmil-images/mine/2g6y) | |
2F6T
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![BU of 2f6t by Molmil](/molmil-images/mine/2f6t) | Protein tyrosine phosphatase 1B with sulfamic acid inhibitors | Descriptor: | 3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Evdokimov, A.G, Pokross, M.E, Klopfenstein, S.R. | Deposit date: | 2005-11-29 | Release date: | 2005-12-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 1,2,3,4-Tetrahydroisoquinolinyl sulfamic acids as phosphatase PTP1B inhibitors Bioorg.Med.Chem.Lett., 16, 2006
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2HBT
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![BU of 2hbt by Molmil](/molmil-images/mine/2hbt) | Crystal structure of HIF prolyl hydroxylase EGLN-1 in complex with a biologically active inhibitor | Descriptor: | Egl nine homolog 1, FE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE | Authors: | Evdokimov, A.G, Walter, R.L, Mekel, M, Pokross, M.E, Kawamoto, R, Boyer, A. | Deposit date: | 2006-06-14 | Release date: | 2006-06-27 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of HIF prolyl hydroxylase in complex with a biologically active inhibitor To be Published
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2HBU
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![BU of 2hbu by Molmil](/molmil-images/mine/2hbu) | Crystal structure of HIF prolyl hydroxylase EGLN-1 in complex with a biologically active inhibitor | Descriptor: | Egl nine homolog 1, FE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE | Authors: | Evdokimov, A.G, Walter, R.L, Mekel, M, Pokross, M.E, Kawamoto, R, Boyer, A. | Deposit date: | 2006-06-14 | Release date: | 2006-06-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of HIF prolyl hydroxylase in complex with a biologically active inhibitor To be Published
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2H02
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![BU of 2h02 by Molmil](/molmil-images/mine/2h02) | Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors | Descriptor: | Protein tyrosine phosphatase, receptor type, B,, ... | Authors: | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M, Gray, J.L, Peters, K.G, Maier, M.B, Amarasinghe, K.D, Clark, C.M, Nichols, R. | Deposit date: | 2006-05-13 | Release date: | 2006-06-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and synthesis of potent, non-peptidic inhibitors of HPTPbeta. Bioorg.Med.Chem.Lett., 16, 2006
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2H04
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![BU of 2h04 by Molmil](/molmil-images/mine/2h04) | Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors | Descriptor: | Protein tyrosine phosphatase, receptor type, B,, ... | Authors: | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M, Gray, J.L, Peters, K.G, Maier, M.B, Amarasinghe, K.D, Clark, C.M, Nichols, R. | Deposit date: | 2006-05-13 | Release date: | 2006-06-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and synthesis of potent, non-peptidic inhibitors of HPTPbeta. Bioorg.Med.Chem.Lett., 16, 2006
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2H03
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![BU of 2h03 by Molmil](/molmil-images/mine/2h03) | Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors | Descriptor: | (4-{4-[(TERT-BUTOXYCARBONYL)AMINO]-2,2-BIS(ETHOXYCARBONYL)BUTYL}PHENYL)SULFAMIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M, Gray, J.L, Peters, K.G, Maier, M.B, Amarasinghe, K.D, Clark, C.M, Nichols, R. | Deposit date: | 2006-05-13 | Release date: | 2006-06-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Design and synthesis of potent, non-peptidic inhibitors of HPTPbeta. Bioorg.Med.Chem.Lett., 16, 2006
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2GG7
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![BU of 2gg7 by Molmil](/molmil-images/mine/2gg7) | Novel bacterial methionine aminopeptidase inhibitors | Descriptor: | 3-(5-AMINO-3-IMINO-3H-PYRAZOL-4-YLAZO)-BENZOIC ACID, COBALT (II) ION, Methionine aminopeptidase, ... | Authors: | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M. | Deposit date: | 2006-03-23 | Release date: | 2006-06-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Serendipitous discovery of novel bacterial methionine aminopeptidase inhibitors. Proteins, 66, 2007
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2GG8
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![BU of 2gg8 by Molmil](/molmil-images/mine/2gg8) | Novel bacterial methionine aminopeptidase inhibitors | Descriptor: | COBALT (II) ION, METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-METHYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE, Methionine aminopeptidase, ... | Authors: | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M. | Deposit date: | 2006-03-23 | Release date: | 2006-06-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Serendipitous discovery of novel bacterial methionine aminopeptidase inhibitors. Proteins, 66, 2007
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2I3U
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![BU of 2i3u by Molmil](/molmil-images/mine/2i3u) | Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors | Descriptor: | Receptor-type tyrosine-protein phosphatase beta | Authors: | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M. | Deposit date: | 2006-08-20 | Release date: | 2006-08-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery. Acta Crystallogr.,Sect.D, 62, 2006
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2I4E
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![BU of 2i4e by Molmil](/molmil-images/mine/2i4e) | Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors | Descriptor: | Receptor-type tyrosine-protein phosphatase beta, VANADATE ION | Authors: | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M. | Deposit date: | 2006-08-21 | Release date: | 2006-08-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery. Acta Crystallogr.,Sect.D, 62, 2006
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2I4G
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![BU of 2i4g by Molmil](/molmil-images/mine/2i4g) | Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with a sulfamic acid (soaking experiment) | Descriptor: | CHLORIDE ION, N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE, Receptor-type tyrosine-protein phosphatase beta | Authors: | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M. | Deposit date: | 2006-08-21 | Release date: | 2006-08-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery. Acta Crystallogr.,Sect.D, 62, 2006
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