4NA7
 
 | | Factor XIA in complex with the inhibitor 3'-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]biphenyl-2-carboxylic acid | | 分子名称: | 3'-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]biphenyl-2-carboxylic acid, Coagulation factor XI, SULFATE ION | | 著者 | Wei, A. | | 登録日 | 2013-10-21 | | 公開日 | 2014-02-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Tetrahydroquinoline Derivatives as Potent and Selective Factor XIa Inhibitors.
J.Med.Chem., 57, 2014
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4MPV
 | | Human beta-tryptase co-crystal structure with (2R,4S)-N,N'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-4-hydroxy-2-(2-hydroxypropan-2-yl)-5,5-dimethyl-1,3-dioxolane-2,4-dicarboxamide | | 分子名称: | (2R,4S)-N,N'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-4-hydroxy-2-(2-hydroxypropan-2-yl)-5,5-dimethyl-1,3-dioxolane-2,4-dicarboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | 著者 | White, A, Stein, A.J, Suto, R. | | 登録日 | 2013-09-13 | | 公開日 | 2015-03-18 | | 最終更新日 | 2019-09-25 | | 実験手法 | X-RAY DIFFRACTION (2.305 Å) | | 主引用文献 | Target-Directed Self-Assembly of Homodimeric Drugs Against beta-Tryptase.
Acs Med.Chem.Lett., 9, 2018
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4MNX
 | | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK811 | | 分子名称: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, GLYCEROL, SULFATE ION, ... | | 著者 | Chen, S, Pojer, F, Heinis, C. | | 登録日 | 2013-09-11 | | 公開日 | 2014-02-05 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Peptide ligands stabilized by small molecules.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4MPW
 | | Human beta-tryptase co-crystal structure with [(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzofuran-3,5-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone) | | 分子名称: | ACETATE ION, CHLORIDE ION, TRIETHYLENE GLYCOL, ... | | 著者 | White, A, Stein, A.J, Suto, R. | | 登録日 | 2013-09-13 | | 公開日 | 2015-03-18 | | 最終更新日 | 2019-09-25 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | A Novel, Nonpeptidic, Orally Active Bivalent Inhibitor of Human beta-Tryptase.
Pharmacology, 102, 2018
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4MQA
 | | Human beta-tryptase co-crystal structure with {(1,1,3,3-tetramethyldisiloxane-1,3-diyl)bis[5-(methylsulfanyl)benzene-3,1-diyl]}bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone) | | 分子名称: | SULFATE ION, TETRAETHYLENE GLYCOL, Tryptase alpha/beta-1, ... | | 著者 | White, A, Lakshminarasimhan, D, Suto, R. | | 登録日 | 2013-09-16 | | 公開日 | 2015-03-18 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Target-directed self-assembly of homodimeric drugs
To be Published
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4MPX
 | | Human beta-tryptase co-crystal structure with [(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzothiene-4,2-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone) | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, SULFATE ION, ... | | 著者 | White, A, Stein, A.J, Suto, R. | | 登録日 | 2013-09-13 | | 公開日 | 2015-03-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Target-directed self-assembly of homodimeric drugs
To be Published
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4MTB
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4NIW
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4NIV
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4NFF
 | | Human kallikrein-related peptidase 2 in complex with PPACK | | 分子名称: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Kallikrein-2 | | 著者 | Skala, W, Brandstetter, H, Magdolen, V, Goettig, P. | | 登録日 | 2013-10-31 | | 公開日 | 2014-10-29 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-function analyses of human kallikrein-related peptidase 2 establish the 99-loop as master regulator of activity
J.Biol.Chem., 289, 2014
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4NCY
 | | In situ trypsin crystallized on a MiTeGen micromesh with imidazole ligand | | 分子名称: | 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ... | | 著者 | Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S. | | 登録日 | 2013-10-25 | | 公開日 | 2014-04-09 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Hitting the target: fragment screening with acoustic in situ co-crystallization of proteins plus fragment libraries on pin-mounted data-collection micromeshes.
Acta Crystallogr.,Sect.D, 70, 2014
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4NFE
 | | Human kallikrein-related peptidase 2 in complex with benzamidine | | 分子名称: | BENZAMIDINE, Kallikrein-2, SULFATE ION | | 著者 | Skala, W, Brandstetter, H, Magdolen, V, Goettig, P. | | 登録日 | 2013-10-31 | | 公開日 | 2014-10-29 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-function analyses of human kallikrein-related peptidase 2 establish the 99-loop as master regulator of activity
J.Biol.Chem., 289, 2014
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4NIX
 | | Crystal structure of trypsiligase (K60E/N143H/Y151H/D189K trypsin) orthorhombic form, zinc-bound | | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | 著者 | Schoepfel, M, Parthier, C, Stubbs, M.T. | | 登録日 | 2013-11-08 | | 公開日 | 2014-02-19 | | 最終更新日 | 2014-03-19 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | N-terminal protein modification by substrate-activated reverse proteolysis.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4OS7
 | | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK607 (bicyclic) | | 分子名称: | ACETATE ION, GLYCEROL, SULFATE ION, ... | | 著者 | Chen, S, Pojer, F, Heinis, C. | | 登録日 | 2014-02-12 | | 公開日 | 2014-09-24 | | 最終更新日 | 2021-06-02 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
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4O97
 | | Crystal structure of matriptase in complex with inhibitor | | 分子名称: | N-(trans-4-aminocyclohexyl)-3,5-bis[(3-carbamimidoylbenzyl)oxy]benzamide, Peptide CGLR, Suppressor of tumorigenicity 14 protein | | 著者 | Rao, K.N, Chandra, B.R, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S, Subramanya, H.S. | | 登録日 | 2014-01-02 | | 公開日 | 2014-05-28 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure-guided discovery of 1,3,5 tri-substituted benzenes as potent and selective matriptase inhibitors exhibiting in vivo antitumor efficacy.
Bioorg.Med.Chem., 22, 2014
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4OS2
 | | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK602 (bicyclic 1) | | 分子名称: | ACETATE ION, SULFATE ION, Urokinase-type plasminogen activator, ... | | 著者 | Chen, S, Pojer, F, Heinis, C. | | 登録日 | 2014-02-12 | | 公開日 | 2014-09-24 | | 最終更新日 | 2021-06-02 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
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4O9V
 | | Crystal structure of matriptase in complex with inhibitor | | 分子名称: | N-(trans-4-aminocyclohexyl)-3,5-bis(4-carbamimidoylphenoxy)benzamide, Peptide CGLR, Suppressor of tumorigenicity 14 protein | | 著者 | Rao, K.N, Chandra, B.R, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S, Subramanya, H.S. | | 登録日 | 2014-01-03 | | 公開日 | 2014-05-28 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-guided discovery of 1,3,5 tri-substituted benzenes as potent and selective matriptase inhibitors exhibiting in vivo antitumor efficacy.
Bioorg.Med.Chem., 22, 2014
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4OS5
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4OS1
 | | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK601 (bicyclic 1) | | 分子名称: | ACETATE ION, SULFATE ION, Urokinase-type plasminogen activator, ... | | 著者 | Chen, S, Pojer, F, Heinis, C. | | 登録日 | 2014-02-12 | | 公開日 | 2014-09-24 | | 最終更新日 | 2021-06-02 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
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4OS4
 | | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK603 (bicyclic 1) | | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | 著者 | Chen, S, Pojer, F, Heinis, C. | | 登録日 | 2014-02-12 | | 公開日 | 2014-09-24 | | 最終更新日 | 2021-06-02 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
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4OS6
 | | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK604 (bicyclic 2) | | 分子名称: | ACETATE ION, SULFATE ION, Urokinase-type plasminogen activator, ... | | 著者 | Chen, S, Pojer, F, Heinis, C. | | 登録日 | 2014-02-12 | | 公開日 | 2014-09-24 | | 最終更新日 | 2021-06-02 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
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4Q7Z
 | | Neutrophil serine protease 4 (PRSS57) with phe-phe-arg-chloromethylketone (FFR-cmk) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | | 著者 | Eigenbrot, C, Lin, S.J, Dong, K.C. | | 登録日 | 2014-04-25 | | 公開日 | 2014-09-03 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structures of neutrophil serine protease 4 reveal an unusual mechanism of substrate recognition by a trypsin-fold protease.
Structure, 22, 2014
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4Q80
 | | Neutrophil serine protease 4 (PRSS57) with val-leu-lys-chloromethylketone (VLK-cmk) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-valyl-N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-L-leucinamide, ... | | 著者 | Eigenbrot, C, Lin, S.J, Dong, K.C. | | 登録日 | 2014-04-25 | | 公開日 | 2014-09-03 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.07 Å) | | 主引用文献 | Structures of neutrophil serine protease 4 reveal an unusual mechanism of substrate recognition by a trypsin-fold protease.
Structure, 22, 2014
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4Q2K
 | | Bovine alpha chymotrypsin bound to a cyclic peptide inhibitor, 5b | | 分子名称: | (11S)-4,9-dioxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-17,22-dioxa-10,30-diazatetracyclo[21.2.2.2~13,16~.1~5,8~]triaconta-1(25),5,7,13,15,23,26,28-octaene-11-carboxamide, Chymotrypsinogen A | | 著者 | Chan, H.Y, Bruning, J.B, Abell, A.D. | | 登録日 | 2014-04-09 | | 公開日 | 2014-07-23 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Macrocyclic protease inhibitors with reduced peptide character.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4Q7Y
 | | Neutrophil serine protease 4 (PRSS57) apo form 2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Serine protease 57, ... | | 著者 | Eigenbrot, C, Lin, S.J, Dong, K.C. | | 登録日 | 2014-04-25 | | 公開日 | 2014-09-03 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structures of neutrophil serine protease 4 reveal an unusual mechanism of substrate recognition by a trypsin-fold protease.
Structure, 22, 2014
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