7MJ5
 
 | | complex of human thrombin with XC-43 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Putative secreted salivary protein, SODIUM ION, ... | | Authors: | Lu, S, Tirloni, L, Andersen, J.F. | | Deposit date: | 2021-04-19 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Identification of a substrate-like cleavage-resistant thrombin inhibitor from the saliva of the flea Xenopsylla cheopis.
J.Biol.Chem., 297, 2021
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2NU4
 | | Accommodation of positively-charged residues in a hydrophobic specificity pocket: Crystal structures of SGPB in complex with OMTKY3 variants Lys18I and Arg18I | | Descriptor: | Ovomucoid, Streptogrisin B, Proteinase B | | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 2006-11-08 | | Release date: | 2006-11-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Accommodation of positively-charged residues in a hydrophobic specificity pocket: Crystal structures of SGPB in complex with OMTKY3 variants Lys18I and Arg18I
To be Published
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2NU3
 | | Accommodation of positively-charged residues in a hydrophobic specificity pocket: Crystal structures of SGPB in complex with OMTKY3 variants Lys18I and Arg18I | | Descriptor: | Ovomucoid, Streptogrisin B, Proteinase B | | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Huang, K, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 2006-11-08 | | Release date: | 2006-11-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Accommodation of positively-charged residues in a hydrophobic specificity pocket: Crystal structures of SGPB in complex with OMTKY3 variants Lys18I and Arg18I
To be Published
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2NU2
 | | Accommodation of positively-charged residues in a hydrophobic specificity pocket: Crystal structures of SGPB in complex with OMTKY3 variants Lys18I and Arg18I | | Descriptor: | Ovomucoid, Streptogrisin B, Protease B | | Authors: | Bateman, K.S, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 2006-11-08 | | Release date: | 2006-11-21 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Accommodation of positively-charged residues in a hydrophobic specificity pocket: Crystal structures of SGPB in complex with OMTKY3 variants Lys18I and Arg18I
To be Published
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5EST
 | | Crystallographic analysis of the inhibition of porcine pancreatic elastase by a peptidyl boronic acid: structure of a reaction intermediate | | Descriptor: | CALCIUM ION, ELASTASE, N~2~-[(benzyloxy)carbonyl]-N-[(1R,2S)-1-(dihydroxyboranyl)-2-methylbutyl]-L-alaninamide, ... | | Authors: | Takahashi, L.H, Radhakrishnan, R, Rosenfieldjunior, R.E, Meyerjunior, E.F. | | Deposit date: | 1989-05-15 | | Release date: | 1992-04-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystallographic analysis of the inhibition of porcine pancreatic elastase by a peptidyl boronic acid: structure of a reaction intermediate.
Biochemistry, 28, 1989
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7MZT
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5EOK
 | | Human Plasma Coagulation Factor XI in complex with peptide P39 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XI, ... | | Authors: | Wong, S.S, Ostergaard, S, Hall, G, Li, C, Williams, P.M, Stennicke, H, Emsley, J. | | Deposit date: | 2015-11-10 | | Release date: | 2016-04-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A novel DFP tripeptide motif interacts with the coagulation factor XI apple 2 domain.
Blood, 127, 2016
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5EXN
 | | FACTOR XIA (C500S [C122S]) IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate | | Authors: | Sheriff, S. | | Deposit date: | 2015-11-23 | | Release date: | 2016-04-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016
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5F03
 | | TRYPTASE B2 IN COMPLEX WITH 5-(3-Aminomethyl-phenoxymethyl)-3-[3-(2-chloro-pyridin-3-ylethynyl)-phenyl]-oxazolidin-2-one; compound with trifluoro-acetic acid | | Descriptor: | (5~{S})-5-[[3-(aminomethyl)phenoxy]methyl]-3-[3-[2-(2-chloranylpyridin-3-yl)ethynyl]phenyl]-1,3-oxazolidin-2-one, Tryptase beta-2 | | Authors: | Banner, D, Benz, J, Joseph, C, Kuglstatter, A. | | Deposit date: | 2015-11-27 | | Release date: | 2016-02-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
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5EW1
 | | Human thrombin sandwiched between two DNA aptamers: HD22 and HD1-deltaT3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, HD1-deltaT3, ... | | Authors: | Pica, A, Russo Krauss, I, Parente, V, Sica, F. | | Deposit date: | 2015-11-20 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Through-bond effects in the ternary complexes of thrombin sandwiched by two DNA aptamers.
Nucleic Acids Res., 45, 2017
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5EW2
 | | Human thrombin sandwiched between two DNA aptamers: HD22 and HD1-deltaT12 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, HD1-deltaT12, ... | | Authors: | Pica, A, Russo Krauss, I, Parente, V, Sica, F. | | Deposit date: | 2015-11-20 | | Release date: | 2016-11-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.59 Å) | | Cite: | Through-bond effects in the ternary complexes of thrombin sandwiched by two DNA aptamers.
Nucleic Acids Res., 45, 2017
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5EXL
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5EXM
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5BRR
 | | Michaelis complex of tPA-S195A:PAI-1 | | Descriptor: | GLYCEROL, Plasminogen activator inhibitor 1, TRIETHYLENE GLYCOL, ... | | Authors: | Gong, L. | | Deposit date: | 2015-06-01 | | Release date: | 2015-09-02 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (3.16 Å) | | Cite: | Crystal Structure of the Michaelis Complex between Tissue-type Plasminogen Activator and Plasminogen Activators Inhibitor-1
J.Biol.Chem., 290, 2015
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5GVT
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5F8X
 | | The crystal structure of human plasma kallikrein in complex with its peptide inhibitor pkalin-3 | | Descriptor: | CYS-PRO-ALA-ARG-PHE-M70-ALA-LEU-TRP-CYS, Plasma kallikrein, SULFATE ION, ... | | Authors: | Xu, M, Jiang, L, Xu, P, Luo, Z, Andreasen, P, Huang, M. | | Deposit date: | 2015-12-09 | | Release date: | 2016-12-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The Crystal Structure Of Human Plasma Kallikrein In Complex With Its Peptide Inhibitor Pkalin-3
To Be Published
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5FAH
 | | KALLIKREIN-7 IN COMPLEX WITH COMPOUND1 | | Descriptor: | (2~{S})-~{N}2-[2-(4-methoxyphenyl)ethyl]-~{N}1-(naphthalen-1-ylmethyl)pyrrolidine-1,2-dicarboxamide, ACETATE ION, Kallikrein-7 | | Authors: | Ostermann, N, Zink, F. | | Deposit date: | 2015-12-11 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016
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5FCK
 | | COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND 5 | | Descriptor: | 1-[2-[(1~{R},3~{S},5~{R})-3-[[(1~{R})-1-(3-chloranyl-2-fluoranyl-phenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]pyrazolo[3,4-c]pyridine-3-carboxamide, Complement factor D, SULFATE ION | | Authors: | Mac Sweeney, A. | | Deposit date: | 2015-12-15 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016
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5F8T
 | | The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-2 | | Descriptor: | CYS-PRO-LYS-ARG-PHE-M70-ALA-LEU-PHE-CYS, Plasma kallikrein light chain, SULFATE ION, ... | | Authors: | Xu, M, Jiang, L, Xu, P, Luo, Z, Andreasen, P, Huang, M. | | Deposit date: | 2015-12-09 | | Release date: | 2016-12-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-2
To Be Published
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5F8Z
 | | The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-1 | | Descriptor: | CYS-PRO-ALA-ARG-PHE-M70-ALA-LEU-PHE-CYS, Plasma kallikrein LIGHT CHAIN, SULFATE ION, ... | | Authors: | Xu, M, Jiang, L, Xu, P, Luo, Z, Andreasen, P, Huang, M. | | Deposit date: | 2015-12-09 | | Release date: | 2016-12-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The crystal structure of human Plasma Kallikrein in complex with its peptide inhibitor pkalin-1
To Be Published
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5HGG
 | | Crystal structure of uPA in complex with a camelid-derived antibody fragment | | Descriptor: | (3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-2-YL]BUTYL LAURATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Camelid Derived Antibody Fragment, ... | | Authors: | Yung, K.W.Y, Kromann-Hansen, T, Andreasen, P.A, Ngo, J.C.K. | | Deposit date: | 2016-01-08 | | Release date: | 2016-06-01 | | Last modified: | 2016-08-10 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | A Camelid-derived Antibody Fragment Targeting the Active Site of a Serine Protease Balances between Inhibitor and Substrate Behavior
J.Biol.Chem., 291, 2016
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5GIM
 | | Crystal structure of thrombin-avathrin complex | | Descriptor: | C-terminal peptide from Putative uncharacterized protein avahiru, N-terminal peptide from Putative uncharacterized protein avahiru, Thrombin light chain, ... | | Authors: | Kini, R.M, Koh, C.Y, Iyer, J.K, Swaminathan, K. | | Deposit date: | 2016-06-24 | | Release date: | 2017-05-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Avathrin: a novel thrombin inhibitor derived from a multicopy precursor in the salivary glands of the ixodid tick, Amblyomma variegatum.
FASEB J., 31, 2017
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5FBE
 | | COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND2 | | Descriptor: | Complement factor D, GLYCEROL, methyl 2-[[[(2~{S})-2-[[3-(trifluoromethyloxy)phenyl]carbamoyl]pyrrolidin-1-yl]carbonylamino]methyl]benzoate | | Authors: | Ostermann, N, Zink, F. | | Deposit date: | 2015-12-14 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016
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5FCR
 | | MOUSE COMPLEMENT FACTOR D | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Complement factor D, DIMETHYL SULFOXIDE, ... | | Authors: | Mac Sweeney, A. | | Deposit date: | 2015-12-15 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016
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5FBI
 | | COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND 3b | | Descriptor: | 3-[(2-aminocarbonyl-1~{H}-indol-5-yl)oxymethyl]benzoic acid, Complement factor D, GLYCEROL | | Authors: | Ostermann, N, Zink, F. | | Deposit date: | 2015-12-14 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Small-molecule factor D inhibitors targeting the alternative complement pathway.
Nat.Chem.Biol., 12, 2016
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