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4JK6
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Human urokinase-type Plasminogen Activator (uPA) in complex with a bicyclic peptide inhibitor (UK18-D-Aba)
分子名称: 1,3,5-tris(bromomethyl)benzene, CHLORIDE ION, HEXAETHYLENE GLYCOL, ...
著者Buth, S.A, Leiman, P.G, Chen, S, Heinis, C.
登録日2013-03-09
公開日2013-07-17
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Improving binding affinity and stability of Peptide ligands by substituting glycines with d-amino acids.
Chembiochem, 14, 2013
6CYM
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BU of 6cym by Molmil
Reversible Covalent Direct Thrombin Inhibitors
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methoxybenzoic acid, Prothrombin, ...
著者Sivaraja, M, Williams, D.C.
登録日2018-04-06
公開日2018-05-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Reversible covalent direct thrombin inhibitors.
PLoS ONE, 13, 2018
6C0S
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BU of 6c0s by Molmil
Factor XIA in complex with the inhibitor methyl (4-{6-[(1S)-2-[(3R)-1-acetylpiperidin-3-yl]-1-({(2E)-3-[5-chloro-2- (1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl) carbamate
分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
著者Sheriff, S.
登録日2018-01-02
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Pyridazine and pyridazinone derivatives as potent and selective factor XIa inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
4JK5
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Human urokinase-type Plasminogen Activator (uPA) in complex with a bicyclic peptide inhibitor (UK18-D-Ser)
分子名称: 1,3,5-tris(bromomethyl)benzene, CHLORIDE ION, HEXAETHYLENE GLYCOL, ...
著者Buth, S.A, Leiman, P.G, Chen, S, Heinis, C.
登録日2013-03-09
公開日2013-07-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Improving binding affinity and stability of Peptide ligands by substituting glycines with d-amino acids.
Chembiochem, 14, 2013
6BJR
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BU of 6bjr by Molmil
Crystal structure of prothrombin mutant S101C/A470C
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Prothrombin, ...
著者Chinnaraj, M, Chen, Z, Pelc, L, Grese, Z, Bystranowska, D, Di Cera, E, Pozzi, N.
登録日2017-11-06
公開日2018-06-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (6 Å)
主引用文献Structure of prothrombin in the closed form reveals new details on the mechanism of activation.
Sci Rep, 8, 2018
6C2W
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BU of 6c2w by Molmil
Crystal structure of human prothrombin mutant S101C/A470C
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Prothrombin, ...
著者Chinnaraj, M, Chen, Z, Pelc, L, Grese, Z, Bystranowska, D, Di Cera, E, Pozzi, N.
登録日2018-01-09
公開日2018-02-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (4.12 Å)
主引用文献Structure of prothrombin in the closed form reveals new details on the mechanism of activation.
Sci Rep, 8, 2018
5LPR
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BU of 5lpr by Molmil
STRUCTURAL BASIS FOR BROAD SPECIFICITY IN ALPHA-LYTIC PROTEASE MUTANTS
分子名称: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-ALANINE BORONIC ACID INHIBITOR, SULFATE ION
著者Fujishige, A, Bone, R, Agard, D.A.
登録日1991-08-05
公開日1993-01-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Structural basis for broad specificity in alpha-lytic protease mutants.
Biochemistry, 30, 1991
4OGX
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BU of 4ogx by Molmil
Crystal structure of Fab DX-2930 in complex with human plasma kallikrein at 2.4 Angstrom resolution
分子名称: DX-2930 HEAVY CHAIN, DX-2930 LIGHT CHAIN, Plasma kallikrein, ...
著者Edwards, T.E, Clifton, M.C, Abendroth, J, Nixon, A, Ladner, R.
登録日2014-01-16
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Inhibition of plasma kallikrein by a highly specific active site blocking antibody.
J.Biol.Chem., 289, 2014
4OS7
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BU of 4os7 by Molmil
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
4OS5
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BU of 4os5 by Molmil
Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK603 (bicyclic 2)
分子名称: SULFATE ION, Urokinase-type plasminogen activator, bicyclic peptide UK603 (bicyclic 2)
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 (2.26 Å)
主引用文献Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
4OS1
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BU of 4os1 by Molmil
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
4OGY
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BU of 4ogy by Molmil
Crystal structure of Fab DX-2930 in complex with human plasma kallikrein at 2.1 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, DX-2930 HEAVY CHAIN, DX-2930 LIGHT CHAIN, ...
著者Edwards, T.E, Clifton, M.C, Abendroth, J, Nixon, A, Ladner, R.
登録日2014-01-16
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibition of plasma kallikrein by a highly specific active site blocking antibody.
J.Biol.Chem., 289, 2014
4OS6
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BU of 4os6 by Molmil
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
4OS4
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BU of 4os4 by Molmil
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
4DJZ
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BU of 4djz by Molmil
Catalytic fragment of masp-1 in complex with its specific inhibitor developed by directed evolution on sgci scaffold
分子名称: Mannan-binding lectin serine protease 1 heavy chain, Mannan-binding lectin serine protease 1 light chain, Protease inhibitor SGPI-2
著者Heja, D, Harmat, V, Fodor, K, Wilmanns, M, Dobo, J, Kekesi, K.A, Zavodszky, P, Gal, P, Pal, G.
登録日2012-02-03
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Monospecific Inhibitors Show That Both Mannan-binding Lectin-associated Serine Protease-1 (MASP-1) and -2 Are Essential for Lectin Pathway Activation and Reveal Structural Plasticity of MASP-2.
J.Biol.Chem., 287, 2012
4OS2
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BU of 4os2 by Molmil
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
4NGA
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BU of 4nga by Molmil
Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-(propan-2-ylsulfonyl)benzyl]ethanamide
分子名称: (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-(propan-2-ylsulfonyl)benzyl]ethanamide, CALCIUM ION, Factor VIIa (Heavy Chain), ...
著者Wei, A, Anumula, R.
登録日2013-11-01
公開日2014-01-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors.
ACS Med Chem Lett, 5, 2014
4NG9
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BU of 4ng9 by Molmil
Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-(3-sulfamoylbenzyl)ethanamide
分子名称: (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(3-sulfamoylbenzyl)ethanamide, CALCIUM ION, Factor VIIa (Heavy Chain), ...
著者Wei, A, Anumula, R.
登録日2013-11-01
公開日2014-01-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors.
ACS Med Chem Lett, 5, 2014
4GLY
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BU of 4gly by Molmil
Human urokinase-type plasminogen activator uPA in complex with the two-disulfide bridge peptide UK504
分子名称: BICYCLIC PEPTIDE INHIBITOR UK504, CHLORIDE ION, GLYCEROL, ...
著者Buth, S.A, Leiman, P.G, Chen, S, Heinis, C.
登録日2012-08-15
公開日2013-05-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.518 Å)
主引用文献Bicyclic Peptide Ligands Pulled out of Cysteine-Rich Peptide Libraries.
J.Am.Chem.Soc., 135, 2013
4NA9
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BU of 4na9 by Molmil
Factor VIIa in complex with the inhibitor 3'-amino-5'-[(2s,4r)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]biphenyl-2-carboxylic acid
分子名称: 3'-amino-5'-[(2S,4R)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]biphenyl-2-carboxylic acid, CALCIUM ION, Coagulation factor VII heavy chain, ...
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 (2.24 Å)
主引用文献Tetrahydroquinoline Derivatives as Potent and Selective Factor XIa Inhibitors.
J.Med.Chem., 57, 2014
4O03
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BU of 4o03 by Molmil
Crystal structure of Ca2+ bound prothrombin deletion mutant residues 146-167
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Prothrombin
著者Pozzi, N, Chen, Z, Shropshire, D.B, Pelc, L.A, Di Cera, E.
登録日2013-12-13
公開日2014-05-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.38 Å)
主引用文献The linker connecting the two kringles plays a key role in prothrombin activation.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NZL
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BU of 4nzl by Molmil
Extracellular proteins of Staphylococcus aureus inhibit the neutrophil serine proteases
分子名称: Neutrophil elastase, Uncharacterized protein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Stapels, D.A.C, von Koeckritz-Blickwede, M, Ramyar, K.X, Bischoff, M, Milder, F, Ruyken, M, Scheepmaker, L, McWhorter, W.J, Herrmann, M, van Kessel, K.P.M, Geisbrecht, B.V, Rooijakkers, S.H.M.
登録日2013-12-12
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Staphylococcus aureus secretes a unique class of neutrophil serine protease inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
4MPV
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BU of 4mpv by Molmil
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
4MPW
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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
4MQA
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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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件を2024-08-28に公開中

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