1NC6
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![BU of 1nc6 by Molmil](/molmil-images/mine/1nc6) | Potent, small molecule inhibitors of human mast cell tryptase. Anti-asthmatic action of a dipeptide-based transition state analogue containing benzothiazole ketone | Descriptor: | (2S,4R)-1-ACETYL-N-[(1S)-4-[(AMINOIMINOMETHYL)AMINO]-1-(2-BENZOTHIAZOLYLCARBONYL)BUTYL]-4-HYDROXY-2-PYRROLIDINECARBOXAMIDE, CALCIUM ION, SULFATE ION, ... | Authors: | Costanzo, M.J, Yabut, S.C, Almond Jr, H.R, Andrade-Gordon, P, Corcoran, T.W, de Garavilla, L, Kauffman, J.A, Abraham, W.M, Recacha, R, Chattopadhyay, D, Maryanoff, B.E. | Deposit date: | 2002-12-04 | Release date: | 2003-09-23 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Potent, Small-Molecule Inhibitors of Human Mast Cell Tryptase. Antiasthmatic Action of a Dipeptide-Based Transition-State Analogue Containing a Benzothiazole Ketone. J.Med.Chem., 46, 2003
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2ZA5
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![BU of 2za5 by Molmil](/molmil-images/mine/2za5) | Crystal Structure of human tryptase with potent non-peptide inhibitor | Descriptor: | (5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone, Tryptase beta 2 | Authors: | Spurlino, J.C, Barnakov, S.A, Lewandowski, F, Milligan, C. | Deposit date: | 2007-10-02 | Release date: | 2008-02-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives Bioorg.Med.Chem.Lett., 18, 2008
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2ZEC
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![BU of 2zec by Molmil](/molmil-images/mine/2zec) | Potent, Nonpeptide Inhibitors of Human Mast Cell Tryptase | Descriptor: | 1-[1'-(3-phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine, Tryptase beta 2 | Authors: | Spurlino, J.C, Lewandowski, F, Milligan, C. | Deposit date: | 2007-12-08 | Release date: | 2008-12-09 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.059 Å) | Cite: | Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives Bioorg.Med.Chem.Lett., 18, 2008
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2ZEB
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![BU of 2zeb by Molmil](/molmil-images/mine/2zeb) | Potent, Nonpeptide Inhibitors of Human Mast Cell Tryptase | Descriptor: | 1-(1'-{[3-(methylsulfanyl)-2-benzothiophen-1-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine, Tryptase beta 2 | Authors: | Spurlino, J.C, Lewandowski, F, Milligan, C. | Deposit date: | 2007-12-08 | Release date: | 2008-12-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Potent, nonpeptide inhibitors of human mast cell tryptase. Synthesis and biological evaluation of novel spirocyclic piperidine amide derivatives Bioorg.Med.Chem.Lett., 18, 2008
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3Q92
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![BU of 3q92 by Molmil](/molmil-images/mine/3q92) | X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 1 | Descriptor: | Ketohexokinase, N~8~-(cyclopropylmethyl)-N~4~-[2-(methylsulfanyl)phenyl]-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine, SULFATE ION | Authors: | Abad, M.C. | Deposit date: | 2011-01-07 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site. ACS Med Chem Lett, 2, 2011
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3QAI
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![BU of 3qai by Molmil](/molmil-images/mine/3qai) | X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 3 | Descriptor: | Ketohexokinase, N~8~-(cyclopropylmethyl)-2-(2,6-diazaspiro[3.3]hept-2-yl)-N~4~-[2-(methylsulfanyl)phenyl]pyrimido[5,4-d]pyrimidine-4,8-diamine, SULFATE ION | Authors: | Abad, M.C. | Deposit date: | 2011-01-11 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site. ACS Med Chem Lett, 2, 2011
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3QA2
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![BU of 3qa2 by Molmil](/molmil-images/mine/3qa2) | X-ray Structure of ketohexokinase in complex with a pyrimidopyrimidine analog 2 | Descriptor: | Ketohexokinase, N~8~-(cyclopropylmethyl)-N~4~-(2-methylphenyl)-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine, SULFATE ION | Authors: | Abad, M.C. | Deposit date: | 2011-01-10 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.519 Å) | Cite: | Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site. ACS Med Chem Lett, 2, 2011
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