5E2O
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2H5C
| 0.82A resolution crystal structure of alpha-lytic protease at pH 5 | Descriptor: | ALPHA-LYTIC PROTEASE, GLYCEROL, SULFATE ION | Authors: | Fuhrmann, C.N, Daugherty, M.D, Agard, D.A. | Deposit date: | 2006-05-25 | Release date: | 2006-09-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (0.82 Å) | Cite: | Subangstrom crystallography reveals that short ionic hydrogen bonds, and not a His-Asp low-barrier hydrogen bond, stabilize the transition state in serine protease catalysis J.Am.Chem.Soc., 128, 2006
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5E2P
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2GMT
| THREE-DIMENSIONAL STRUCTURE OF CHYMOTRYPSIN INACTIVATED WITH (2S) N-ACETYL-L-ALANYL-L-PHENYLALANYL-CHLOROETHYL KETONE: IMPLICATIONS FOR THE MECHANISM OF INACTIVATION OF SERINE PROTEASES BY CHLOROKETONES | Descriptor: | (2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-CHLOROETHYLKETONE, GAMMA-CHYMOTRYPSIN | Authors: | Kreutter, K, Steinmetz, A.C.U, Liang, T.-C, Prorok, M, Abeles, R, Ringe, D. | Deposit date: | 1994-09-07 | Release date: | 1994-11-01 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional structure of chymotrypsin inactivated with (2S)-N-acetyl-L-alanyl-L-phenylalanyl alpha-chloroethane: implications for the mechanism of inactivation of serine proteases by chloroketones. Biochemistry, 33, 1994
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5EG4
| BOVINE TRYPSIN IN COMPLEX WITH CYCLIC INHIBITOR | Descriptor: | (13S,16R)-N-(4-carbamimidoylbenzyl)-16-((N-cyclohexylsulfamoyl)amino)-3,9,15-trioxo-2,10,14-triaza-6(1,4)-piperazina-1, 11(1,4)-dibenzenacycloheptadecaphane-13-carboxamide, ACETATE ION, ... | Authors: | Knoerlein, A, Wagner, S, Heine, A, Steinmetzer, T, Klebe, G. | Deposit date: | 2015-10-26 | Release date: | 2016-07-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Optimization of Cyclic Plasmin Inhibitors: From Benzamidines to Benzylamines. J.Med.Chem., 59, 2016
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2HLC
| HL COLLAGENASE STRUCTURE AT 1.7A RESOLUTION | Descriptor: | COLLAGENASE | Authors: | Broutin, I, Merigeau, K, Arnoux, B, Ducruix, A. | Deposit date: | 1997-01-08 | Release date: | 1997-09-04 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 1.8 A structure of Hypoderma lineatum collagenase: a member of the serine proteinase family. Acta Crystallogr.,Sect.D, 52, 1996
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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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2HVX
| Discovery of Potent, Orally Active, Nonpeptide Inhibitors of Human Mast Cell Chymase by Using Structure-Based Drug Design | Descriptor: | Chymase, [(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID | Authors: | Greco, M.N, Hawkins, M.J, Powell, E.T, Almond, H.R, de Garavilla, L, Wang, Y, Minor, L.A, Wells, G.I, Di Cera, E, Cantwell, A.M, Savvides, S.N, Damiano, B.P, Maryanoff, B.E. | Deposit date: | 2006-07-31 | Release date: | 2007-06-12 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of potent, selective, orally active, nonpeptide inhibitors of human mast cell chymase. J.Med.Chem., 50, 2007
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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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5EXL
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5F6M
| Isotropic Trypsin Model for Comparison of Diffuse Scattering | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Van Benschoten, A.H, Wall, M.E, Fraser, J.S. | Deposit date: | 2015-12-06 | Release date: | 2016-01-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Measuring and modeling diffuse scattering in protein X-ray crystallography. Proc.Natl.Acad.Sci.USA, 113, 2016
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5EXM
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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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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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2IOT
| Clavulanic Acid bound to Elastase | Descriptor: | Elastase-1, N-(3-OXOPROPYL)GLYCINE, SULFATE ION | Authors: | Farady, C, Navia, M.A. | Deposit date: | 2006-10-10 | Release date: | 2008-04-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Elastase Inhibition by Clavulanic Acid, and Inhibitor of Bacterial b-lactamases: Mechanistic and Structural Studies To be Published
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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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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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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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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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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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5FXL
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2J9N
| Robotically harvested Trypsin complexed with Benzamidine containing polypeptide mediated crystal contacts | Descriptor: | BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ... | Authors: | Viola, R, Carman, P, Walsh, J, Miller, E, Benning, M, Frankel, D, McPherson, A, Cudney, R, Rupp, B. | Deposit date: | 2006-11-14 | Release date: | 2007-04-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Operator Assisted Harvesting of Protein Crystals Using a Universal Micromanipulation Robot. J.Appl.Crystallogr., 40, 2007
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5GIB
| Succinic acid bound trypsin crystallized as dimer | Descriptor: | CALCIUM ION, Cationic trypsin, SUCCINIC ACID | Authors: | Kutumbarao, N.H.V, Manohar, R, KarthiK, L, Malathy, P, Gunasekaran, K, Velmurugan, D. | Deposit date: | 2016-06-22 | Release date: | 2016-08-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.697 Å) | Cite: | Trypsin bound with Succinic acid To Be Published
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