7U5B
 
 | | Structure of Human KLK5 bound to anti-KLK5 Fab | | Descriptor: | Kallikrein-5, SULFATE ION, anti-KLK5 Fab Heavy Chain, ... | | Authors: | Yin, J, Sudhamsu, J. | | Deposit date: | 2022-03-02 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.371 Å) | | Cite: | Dual antibody inhibition of KLK5 and KLK7 for Netherton syndrome and atopic dermatitis.
Sci Transl Med, 14, 2022
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7ZKM
 | | X-ray structure of the complex between human alpha thrombin and a pseudo-cyclic thrombin binding aptamer (TBA-NNp/DDp) - Crystal form beta | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[13-methyl-5,7,12,14-tetrakis(oxidanylidene)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl 3-[5,7,12,14-tetrakis(oxidanylidene)-13-(3-oxidanylpropyl)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1,3,8(16),9,11(15)-pentaen-6-yl]propyl hydrogen phosphate, 3-[5-[3-bis(oxidanyl)phosphanyloxypropoxy]naphthalen-1-yl]oxypropyl 3-(5-oxidanylnaphthalen-1-yl)oxypropyl hydrogen phosphate, ... | | Authors: | Troisi, R, Sica, F. | | Deposit date: | 2022-04-13 | | Release date: | 2022-11-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A terminal functionalization strategy reveals unusual binding abilities of anti-thrombin anticoagulant aptamers.
Mol Ther Nucleic Acids, 30, 2022
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7ZKN
 | | X-ray structure of the complex between human alpha thrombin and a pseudo-cyclic thrombin binding aptamer (TBA-NNp/DDp) - Crystal form gamma | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[13-methyl-5,7,12,14-tetrakis(oxidanylidene)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl 3-[5,7,12,14-tetrakis(oxidanylidene)-13-(3-oxidanylpropyl)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1,3,8(16),9,11(15)-pentaen-6-yl]propyl hydrogen phosphate, 3-[5-[3-bis(oxidanyl)phosphanyloxypropoxy]naphthalen-1-yl]oxypropyl 3-(5-oxidanylnaphthalen-1-yl)oxypropyl hydrogen phosphate, ... | | Authors: | Troisi, R, Sica, F. | | Deposit date: | 2022-04-13 | | Release date: | 2022-11-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | A terminal functionalization strategy reveals unusual binding abilities of anti-thrombin anticoagulant aptamers.
Mol Ther Nucleic Acids, 30, 2022
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7ZKO
 | | X-ray structure of the complex between human alpha thrombin and a pseudo-cyclic thrombin binding aptamer (TBA-NNp/DDp) - Crystal form delta | | Descriptor: | 3-[13-methyl-5,7,12,14-tetrakis(oxidanylidene)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl 3-[5,7,12,14-tetrakis(oxidanylidene)-13-(3-oxidanylpropyl)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1,3,8(16),9,11(15)-pentaen-6-yl]propyl hydrogen phosphate, 3-[5-[3-bis(oxidanyl)phosphanyloxypropoxy]naphthalen-1-yl]oxypropyl 3-(5-oxidanylnaphthalen-1-yl)oxypropyl hydrogen phosphate, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | | Authors: | Troisi, R, Sica, F. | | Deposit date: | 2022-04-13 | | Release date: | 2022-11-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A terminal functionalization strategy reveals unusual binding abilities of anti-thrombin anticoagulant aptamers.
Mol Ther Nucleic Acids, 30, 2022
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7ZKL
 | | X-ray structure of the complex between human alpha thrombin and a pseudo-cyclic thrombin binding aptamer (TBA-NNp/DDp) - Crystal form alpha | | Descriptor: | (2S)-2-hydroxybutanedioic acid, 3-[13-methyl-5,7,12,14-tetrakis(oxidanylidene)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]propyl 3-[5,7,12,14-tetrakis(oxidanylidene)-13-(3-oxidanylpropyl)-6,13-diazatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1,3,8(16),9,11(15)-pentaen-6-yl]propyl hydrogen phosphate, 3-[5-[3-bis(oxidanyl)phosphanyloxypropoxy]naphthalen-1-yl]oxypropyl 3-(5-oxidanylnaphthalen-1-yl)oxypropyl hydrogen phosphate, ... | | Authors: | Troisi, R, Sica, F. | | Deposit date: | 2022-04-13 | | Release date: | 2022-11-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.18 Å) | | Cite: | A terminal functionalization strategy reveals unusual binding abilities of anti-thrombin anticoagulant aptamers.
Mol Ther Nucleic Acids, 30, 2022
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7VM7
 | | Crystal structure of inactive uPA in complex with nafamostat | | Descriptor: | (6-carbamimidoylnaphthalen-2-yl) 4-carbamimidamidobenzoate, Urokinase-type plasminogen activator chain B | | Authors: | Jiang, L.G, Huang, M.D. | | Deposit date: | 2021-10-07 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural study of the uPA-nafamostat complex reveals a covalent inhibitory mechanism of nafamostat.
Biophys.J., 121, 2022
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7QI0
 | | Crystal structure of KLK6 in complex with compound DKFZ918 | | Descriptor: | (5~{R})-3-(6-carbamimidoylpyridin-3-yl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide, Kallikrein-6 | | Authors: | Jagtap, P.K.A, Baumann, A, Lohbeck, J, Isak, D, Miller, A, Hennig, J. | | Deposit date: | 2021-12-14 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Scalable synthesis and structural characterization of reversible KLK6 inhibitors.
Rsc Adv, 12, 2022
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7QHZ
 | | Crystal structure of KLK6 in complex with compound DKFZ917 | | Descriptor: | (5~{R})-3-(4-carbamimidoylphenyl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide, GLYCEROL, Kallikrein-6 | | Authors: | Jagtap, P.K.A, Baumann, A, Lohbeck, J, Isak, D, Miller, A, Hennig, J. | | Deposit date: | 2021-12-14 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Scalable synthesis and structural characterization of reversible KLK6 inhibitors.
Rsc Adv, 12, 2022
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8H3U
 | | Inhibitor-bound EP, polyA model | | Descriptor: | Enteropeptidase catalytic light chain, Enteropeptidase non-catalytic heavy chain | | Authors: | Ding, Z.Y, Huang, H.J. | | Deposit date: | 2022-10-09 | | Release date: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
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8H3S
 | | Substrate-bound EP, polyA model | | Descriptor: | Enteropeptidase catalytic light chain, Enteropeptidase non-catalytic heavy chain, Serine protease 1 | | Authors: | Ding, Z.Y, Huang, H.J. | | Deposit date: | 2022-10-09 | | Release date: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
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7QFT
 | | Crystal structure of KLK6 in complex with compound 16a | | Descriptor: | KLK6 Activity-Based Probe (Ahx-DPhe-Cha-Dht-Arg-DPP), Kallikrein-6 | | Authors: | Jagtap, P.K.A, Zhang, L, De Vita, E, Tate, E.W, Hennig, J. | | Deposit date: | 2021-12-06 | | Release date: | 2022-11-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | A KLK6 Activity-Based Probe Reveals a Role for KLK6 Activity in Pancreatic Cancer Cell Invasion.
J.Am.Chem.Soc., 144, 2022
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7PZO
 | | mite allergen Der p 3 from Dermatophagoides pteronyssinus | | Descriptor: | SULFATE ION, mite allergen Der p 3 | | Authors: | Timofeev, V.I, Shevtsov, M.B, Abramchik, Y.A, Mikheeva, O.O, Kostromina, M.A, Lykoshin, D.D, Zayats, E.A, Zavriev, S.K, Esipov, R.S, Kuranova, I.P. | | Deposit date: | 2021-10-13 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural plasticity and thermal stability of the histone-like protein from Spiroplasma melliferum are due to phenylalanine insertions into the conservative scaffold.
J.Biomol.Struct.Dyn., 36, 2018
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8D95
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8DEA
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8DG6
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8A3Q
 | | Human Plasma Kallekrein in complex with 14W | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Plasma kallikrein, ... | | Authors: | McEwan, P.A. | | Deposit date: | 2022-06-08 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Sebetralstat (KVD900): A Potent and Selective Small Molecule Plasma Kallikrein Inhibitor Featuring a Novel P1 Group as a Potential Oral On-Demand Treatment for Hereditary Angioedema.
J.Med.Chem., 65, 2022
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7WQX
 | | Structure of Inactive-EP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Enteropeptidase | | Authors: | Yang, X.L, Ding, Z.Y, Huang, H.J. | | Deposit date: | 2022-01-26 | | Release date: | 2022-10-26 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
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7WQW
 | | Structure of Active-EP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Enteropeptidase catalytic light chain, Enteropeptidase non-catalytic heavy chain | | Authors: | Yang, X.L, Ding, Z.Y, Huang, H.J. | | Deposit date: | 2022-01-26 | | Release date: | 2022-10-26 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
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7WR7
 | | Structure of Inhibited-EP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, Enteropeptidase catalytic light chain, ... | | Authors: | Yang, X.L, Ding, Z.Y, Huang, H.J. | | Deposit date: | 2022-01-26 | | Release date: | 2022-10-26 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
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7WQZ
 | | Structure of Active-mutEP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Enteropeptidase catalytic light chain, Enteropeptidase non-catalytic heavy chain | | Authors: | Yang, X.L, Ding, Z.Y, Huang, H.J. | | Deposit date: | 2022-01-26 | | Release date: | 2022-10-26 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
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7QFV
 | | Crystal structure of KLK6 in complex with compound 17a | | Descriptor: | KLK6 Activity-Based Probe (Ahx-DPhe-Ser(Z)-Dht-Arg-DPP), Kallikrein-6 | | Authors: | Jagtap, P.K.A, Zhang, L, De Vita, E, Tate, E.W, Hennig, J. | | Deposit date: | 2021-12-06 | | Release date: | 2022-10-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | A KLK6 Activity-Based Probe Reveals a Role for KLK6 Activity in Pancreatic Cancer Cell Invasion.
J.Am.Chem.Soc., 144, 2022
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7VM5
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7VM6
 | | Crystal structure of uPA in complex with 6-amidino-2-naphthol | | Descriptor: | 6-oxidanylnaphthalene-2-carboximidamide, SULFATE ION, TRIETHYLENE GLYCOL, ... | | Authors: | Jiang, L.G, Huang, M.D. | | Deposit date: | 2021-10-07 | | Release date: | 2022-10-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural study of the uPA-nafamostat complex reveals a covalent inhibitory mechanism of nafamostat.
Biophys.J., 121, 2022
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7VM4
 | | Crystal structure of uPA in complex with nafamostat | | Descriptor: | 4-carbamimidamidobenzoic acid, TRIETHYLENE GLYCOL, Urokinase-type plasminogen activator | | Authors: | Jiang, L.G, Huang, M.D. | | Deposit date: | 2021-10-07 | | Release date: | 2022-10-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural study of the uPA-nafamostat complex reveals a covalent inhibitory mechanism of nafamostat.
Biophys.J., 121, 2022
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8ADT
 | | Rational design of a calcium-independent trypsin variant | | Descriptor: | Serine protease 1 | | Authors: | Simon, A.H, Liebscher, S, Kattner, A, Kattner, C, Bordusa, F. | | Deposit date: | 2022-07-11 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Rational Design of a Calcium-Independent Trypsin Variant
Catalysts, 12, 2022
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