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PDB: 2569 results

2FOE
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BU of 2foe by Molmil
Structure of porcine pancreatic elastase in 80% hexane
Descriptor: (2S)-HEX-5-ENE-1,2-DIOL, CALCIUM ION, SULFATE ION, ...
Authors:Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D.
Deposit date:2006-01-13
Release date:2006-04-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
2FPZ
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BU of 2fpz by Molmil
Human tryptase with 2-amino benzimidazole
Descriptor: 2H-BENZOIMIDAZOL-2-YLAMINE, Tryptase beta-2
Authors:Somoza, J.R.
Deposit date:2006-01-17
Release date:2006-03-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
2FS8
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BU of 2fs8 by Molmil
Human beta-tryptase II with inhibitor CRA-29382
Descriptor: ALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]-3-PYRROLIDIN-3-YLPROPYL}CARBAMATE, Tryptase beta-2
Authors:Somoza, J.R.
Deposit date:2006-01-21
Release date:2006-03-21
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
2G51
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BU of 2g51 by Molmil
anomalous substructure of trypsin (p1)
Descriptor: CHLORIDE ION, Trypsin
Authors:Mueller-Dieckmann, C, Weiss, M.S.
Deposit date:2006-02-22
Release date:2007-02-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
2G8T
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BU of 2g8t by Molmil
Indole-amidine Complexes with Bovine Trypsin
Descriptor: 2-(2-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE, CALCIUM ION, Cationic trypsin, ...
Authors:Kline, A.D, Briggs, S.L, Subramaniam, S.
Deposit date:2006-03-03
Release date:2006-09-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Ligand Epitoping By Proton NMR Chemical Shift Differences
To be published
2FOC
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BU of 2foc by Molmil
Structure of porcine pancreatic elastase in 55% dimethylformamide
Descriptor: CALCIUM ION, DIMETHYLFORMAMIDE, SULFATE ION, ...
Authors:Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D.
Deposit date:2006-01-13
Release date:2006-04-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
4O97
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BU of 4o97 by Molmil
Crystal structure of matriptase in complex with inhibitor
Descriptor: N-(trans-4-aminocyclohexyl)-3,5-bis[(3-carbamimidoylbenzyl)oxy]benzamide, Peptide CGLR, Suppressor of tumorigenicity 14 protein
Authors:Rao, K.N, Chandra, B.R, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S, Subramanya, H.S.
Deposit date:2014-01-02
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
6AOD
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BU of 6aod by Molmil
FXIa antibody complex
Descriptor: COBALT (II) ION, Coagulation factor XI, FXIa Antibody FAB Heavy Chain, ...
Authors:Lolicato, M, Minor, D.L.
Deposit date:2017-08-15
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for Activity and Specificity of an Anticoagulant Anti-FXIa Monoclonal Antibody and a Reversal Agent.
Structure, 26, 2018
2GDD
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BU of 2gdd by Molmil
Human beta II tryptase with inhibitor CRA-27592
Descriptor: BENZYL {(1S)-5-AMINO-1-[(S)-HYDROXY(5-{[4-(4-PHENYLBUTANOYL)PIPERAZIN-1-YL]METHYL}-1,2,4-OXADIAZOL-3-YL)METHYL]PENTYL}CARBAMATE, Tryptase beta-2
Authors:Somoza, J.R.
Deposit date:2006-03-15
Release date:2006-04-11
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Human beta II tryptase with inhibitor CRA-27592
To be Published
2G55
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BU of 2g55 by Molmil
Anomalous substructure of trypsin (P3121)
Descriptor: CALCIUM ION, CHLORIDE ION, Cationic trypsin
Authors:Mueller-Dieckmann, C, Weiss, M.S.
Deposit date:2006-02-22
Release date:2007-02-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
2FS9
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BU of 2fs9 by Molmil
Human beta tryptase II with inhibitor CRA-28427
Descriptor: ETHYL {(1S)-5-AMINO-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]PENTYL}CARBAMATE, Tryptase beta-2
Authors:Somoza, J.R.
Deposit date:2006-01-21
Release date:2006-03-07
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
2FXR
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BU of 2fxr by Molmil
human beta tryptase II complexed with activated ketone inhibitor CRA-29382
Descriptor: ALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]-3-PYRROLIDIN-3-YLPROPYL}CARBAMATE, Tryptase beta-2
Authors:Katz, B.A.
Deposit date:2006-02-06
Release date:2006-02-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
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)
Descriptor: SULFATE ION, Urokinase-type plasminogen activator, bicyclic peptide UK603 (bicyclic 2)
Authors:Chen, S, Pojer, F, Heinis, C.
Deposit date:2014-02-12
Release date:2014-09-24
Last modified:2021-06-02
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
2G52
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BU of 2g52 by Molmil
Anomalous substructure of trypsin (P21)
Descriptor: SULFATE ION, Trypsin
Authors:Mueller-Dieckmann, C, Weiss, M.S.
Deposit date:2006-02-22
Release date:2007-02-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
2G5V
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BU of 2g5v by Molmil
Indole-amidine Complexes with Bovine Trypsin
Descriptor: 2-(2-METHYLPHENYL)-1H-INDOLE-6-CARBOXIMIDAMIDE, CALCIUM ION, Cationic trypsin
Authors:Kline, A.D, Briggs, S.L, Subramaniam, S.
Deposit date:2006-02-23
Release date:2006-08-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Ligand Epitoping By Proton NMR Chemical Shift Differences
To be published
6B6R
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BU of 6b6r by Molmil
Orthorhombic trypsin cryocooled to 100 K with 50% mpd as cryoprotectant
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, BENZAMIDINE, CALCIUM ION, ...
Authors:Juers, D.H.
Deposit date:2017-10-03
Release date:2017-11-01
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.00005865 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6B77
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BU of 6b77 by Molmil
Structures of the two-chain human plasma factor XIIa co-crystallized with potent inhibitors
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XII, GLYCEROL, ...
Authors:Dementiev, A.A, Silva, A, Yee, C, Flavin, M.T, Partridge, J.R.
Deposit date:2017-10-03
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structures of human plasma beta-factor XIIa cocrystallized with potent inhibitors.
Blood Adv, 2, 2018
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)
Descriptor: ACETATE ION, SULFATE ION, Urokinase-type plasminogen activator, ...
Authors:Chen, S, Pojer, F, Heinis, C.
Deposit date:2014-02-12
Release date:2014-09-24
Last modified:2021-06-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
6BFP
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BU of 6bfp by Molmil
Bovine trypsin bound to potent inhibitor
Descriptor: 3-{2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl}-6-[(cyclopropylmethyl)carbamoyl]pyridine-2-carboxylic acid, CALCIUM ION, Cationic trypsin
Authors:Partridge, J.R, Choy, R.M.
Deposit date:2017-10-26
Release date:2018-10-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.292 Å)
Cite:Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition.
J.Struct.Biol., 206, 2019
5TP0
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BU of 5tp0 by Molmil
Human mesotrypsin in complex with diminazene
Descriptor: BERENIL, CALCIUM ION, SULFATE ION, ...
Authors:Kayode, O, Soares, A, Radisky, E.S.
Deposit date:2016-10-19
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Small molecule inhibitors of mesotrypsin from a structure-based docking screen.
PLoS ONE, 12, 2017
6B6Q
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BU of 6b6q by Molmil
Orthorhombic trypsin cryocooled to 100 K with 50% xylose as cryoprotectant
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Juers, D.H.
Deposit date:2017-10-03
Release date:2017-11-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.000068 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
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)
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Chen, S, Pojer, F, Heinis, C.
Deposit date:2014-02-12
Release date:2014-09-24
Last modified:2021-06-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 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)
Descriptor: ACETATE ION, SULFATE ION, Urokinase-type plasminogen activator, ...
Authors:Chen, S, Pojer, F, Heinis, C.
Deposit date:2014-02-12
Release date:2014-09-24
Last modified:2021-06-02
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
5UGG
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BU of 5ugg by Molmil
Protease Inhibitor
Descriptor: Nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-N-octyl-O-[(quinolin-2-yl)methyl]-L-tyrosinamide, Plasminogen
Authors:Law, R.H.P, Wu, G, Whisstock, J.C.
Deposit date:2017-01-08
Release date:2017-05-31
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:X-ray crystal structure of plasmin with tranexamic acid-derived active site inhibitors.
Blood Adv, 1, 2017
6B74
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BU of 6b74 by Molmil
Structures of the two-chain human plasma Factor XIIa co-crystallized with potent inhibitors
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, Coagulation factor XII, ...
Authors:Dementiev, A.A, Partridge, J.R.
Deposit date:2017-10-03
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.323 Å)
Cite:Structures of human plasma beta-factor XIIa cocrystallized with potent inhibitors.
Blood Adv, 2, 2018

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