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4NTY
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BU of 4nty by Molmil
Cesium sites in the crystal structure of acid-sensing ion channel in complex with snake toxin
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Acid-sensing ion channel 1, Basic phospholipase A2 homolog Tx-beta, ...
Authors:Baconguis, I, Bohlen, C.J, Goehring, A, Julius, D, Gouaux, E.
Deposit date:2013-12-02
Release date:2014-02-19
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:X-ray structure of Acid-sensing ion channel 1-snake toxin complex reveals open state of a na(+)-selective channel.
Cell(Cambridge,Mass.), 156, 2014
4NTX
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BU of 4ntx by Molmil
Structure of acid-sensing ion channel in complex with snake toxin and amiloride
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,5-DIAMINO-N-(AMINOIMINOMETHYL)-6-CHLOROPYRAZINECARBOXAMIDE, Acid-sensing ion channel 1, ...
Authors:Baconguis, I, Bohlen, C.J, Goehring, A, Julius, D, Gouaux, E.
Deposit date:2013-12-02
Release date:2014-02-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:X-ray structure of Acid-sensing ion channel 1-snake toxin complex reveals open state of a na(+)-selective channel.
Cell(Cambridge,Mass.), 156, 2014
3L33
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BU of 3l33 by Molmil
Human mesotrypsin complexed with amyloid precursor protein inhibitor(APPI)
Descriptor: Amyloid beta A4 protein, CALCIUM ION, FORMIC ACID, ...
Authors:Salameh, M.A, Soares, A.S, Radisky, E.S.
Deposit date:2009-12-16
Release date:2010-09-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Determinants of affinity and proteolytic stability in interactions of Kunitz family protease inhibitors with mesotrypsin.
J.Biol.Chem., 285, 2010
1ZJD
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BU of 1zjd by Molmil
Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Kunitz Protease Inhibitor Domain of Protease Nexin II
Descriptor: Catalytic Domain of Coagulation Factor XI, Kunitz Protease Inhibitory Domain of Protease Nexin II
Authors:Jin, L, Navaneetham, D, Pandey, P, Strickler, J.E, Babine, R.E, Walsh, P.N, Abdel-Meguid, S.S.
Deposit date:2005-04-28
Release date:2005-08-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Mutational Analyses of the Molecular Interactions between the Catalytic Domain of Factor XIa and the Kunitz Protease Inhibitor Domain of Protease Nexin 2
J.Biol.Chem., 280, 2005
1ZR0
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BU of 1zr0 by Molmil
Crystal Structure of Kunitz Domain 1 of Tissue Factor Pathway Inhibitor-2 with Bovine Trypsin
Descriptor: CALCIUM ION, Cationic trypsin, Tissue factor pathway inhibitor 2
Authors:Schmidt, A.E, Chand, H.S, Cascio, D, Kisiel, W, Bajaj, S.P.
Deposit date:2005-05-18
Release date:2005-06-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Crystal structure of Kunitz domain 1 (KD1) of tissue factor pathway inhibitor-2 in complex with trypsin. Implications for KD1 specificity of inhibition
J.Biol.Chem., 280, 2005
4BD9
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BU of 4bd9 by Molmil
Structure of the complex between SmCI and human carboxypeptidase A4
Descriptor: CARBOXYPEPTIDASE A4, CARBOXYPEPTIDASE INHIBITOR SMCI, ZINC ION
Authors:Alonso-del-Ribero, M, Reytor, M.L, Trejo, S.A, Chavez, M.A, Aviles, F.X, Reverter, D.
Deposit date:2012-10-05
Release date:2013-07-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Noncanonical Mechanism of Carboxypeptidase Inhibition Revealed by the Crystal Structure of the Tri-Kunitz Smci in Complex with Human Cpa4.
Structure, 21, 2013
4BNR
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BU of 4bnr by Molmil
Extremely stable complex of crayfish trypsin with bovine trypsin inhibitor
Descriptor: CALCIUM ION, HEPATOPANCREAS TRYPSIN, PANCREATIC TRYPSIN INHIBITOR, ...
Authors:Molnar, T, Voros, J, Szeder, B, Takats, K, Kardos, J, Katona, G, Graf, L.
Deposit date:2013-05-17
Release date:2013-09-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Comparison of Complexes Formed by a Crustacean and a Vertebrate Trypsin with Bovine Pancreatic Trypsin Inhibitor - the Key to Achieving Extreme Stability?
FEBS J., 280, 2013
4DG4
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BU of 4dg4 by Molmil
Human mesotrypsin-S39Y complexed with bovine pancreatic trypsin inhibitor (BPTI)
Descriptor: CALCIUM ION, PRSS3 protein, Pancreatic trypsin inhibitor, ...
Authors:Salameh, M.A, Soares, A.S, Radisky, E.S.
Deposit date:2012-01-24
Release date:2012-09-12
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Presence versus absence of hydrogen bond donor Tyr-39 influences interactions of cationic trypsin and mesotrypsin with protein protease inhibitors.
Protein Sci., 21, 2012
7PH1
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BU of 7ph1 by Molmil
Trypsin in complex with BPTI mutant (2S)-2-amino-4-monofluorobutanoic acid
Descriptor: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
Authors:Dimos, N, Leppkes, J, Koksch, B, Loll, B.
Deposit date:2021-08-16
Release date:2022-03-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Water Network in the Binding Pocket of Fluorinated BPTI-Trypsin Complexes─Insights from Simulation and Experiment.
J.Phys.Chem.B, 126, 2022
4WXV
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BU of 4wxv by Molmil
Human cationic trypsin K97D mutant in complex with bovine pancreatic trypsin inhibitor (BPTI)
Descriptor: CALCIUM ION, Pancreatic trypsin inhibitor, SULFATE ION, ...
Authors:Alloy, A, Kayode, O, Soares, A.S, Wang, R, Radisky, E.S.
Deposit date:2014-11-14
Release date:2015-07-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mesotrypsin Has Evolved Four Unique Residues to Cleave Trypsin Inhibitors as Substrates.
J.Biol.Chem., 290, 2015
4WWY
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BU of 4wwy by Molmil
human cationic trypsin G193R mutant in complex with bovine pancreatic trypsin inhibitor
Descriptor: CALCIUM ION, Pancreatic trypsin inhibitor, SULFATE ION, ...
Authors:Alloy, A, Kayode, O, Soares, A.S, Wang, R, Radisky, E.S.
Deposit date:2014-11-12
Release date:2015-07-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mesotrypsin Has Evolved Four Unique Residues to Cleave Trypsin Inhibitors as Substrates.
J.Biol.Chem., 290, 2015
3M7Q
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BU of 3m7q by Molmil
Crystal structure of recombinant Kunitz Type serine protease Inhibitor-1 from the Caribbean sea anemone stichodactyla helianthus in complex with bovine pancreatic trypsin
Descriptor: Cationic trypsin, Kunitz-type proteinase inhibitor SHPI-1, PHOSPHATE ION
Authors:Garcia-Fernandez, R, Redecke, L, Pons, T, Perbandt, M, Gil, D, Talavera, A, Gonzalez, Y, de los angeles Chavez, M, Betzel, C.
Deposit date:2010-03-17
Release date:2011-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into serine protease inhibition by a marine invertebrate BPTI Kunitz-type inhibitor.
J.Struct.Biol., 180, 2012
4Y0Y
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BU of 4y0y by Molmil
Trypsin in complex with with BPTI
Descriptor: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
Authors:Loll, B, Ye, S, Berger, A.A, Muelow, U, Alings, C, Wahl, M.C, Koksch, B.
Deposit date:2015-02-06
Release date:2015-06-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Fluorine teams up with water to restore inhibitor activity to mutant BPTI.
Chem Sci, 6, 2015
4Y0Z
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BU of 4y0z by Molmil
Trypsin in complex with with BPTI mutant AMINOBUTYRIC ACID
Descriptor: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
Authors:Loll, B, Ye, S, Berger, A.A, Muelow, U, Alings, C, Wahl, M.C, Koksch, B.
Deposit date:2015-02-06
Release date:2015-06-24
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Fluorine teams up with water to restore inhibitor activity to mutant BPTI.
Chem Sci, 6, 2015
5H7V
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BU of 5h7v by Molmil
Structure of full-length extracellular domain of HAI-1 at pH 4.6
Descriptor: Kunitz-type protease inhibitor 1
Authors:Liu, M, Huang, M.
Deposit date:2016-11-21
Release date:2017-03-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.82 Å)
Cite:The crystal structure of a multidomain protease inhibitor (HAI-1) reveals the mechanism of its auto-inhibition
J. Biol. Chem., 292, 2017
4Y11
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BU of 4y11 by Molmil
Trypsin in complex with with BPTI mutant (2S)-2-amino-4,4,4-trifluorobutanoic acid
Descriptor: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
Authors:Loll, B, Ye, S, Berger, A.A, Muelow, U, Alings, C, Wahl, M.C, Koksch, B.
Deposit date:2015-02-06
Release date:2015-06-24
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Fluorine teams up with water to restore inhibitor activity to mutant BPTI.
Chem Sci, 6, 2015
4Y10
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BU of 4y10 by Molmil
Trypsin in complex with with BPTI mutant (2S)-2-amino-4,4-difluorobutanoic acid
Descriptor: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
Authors:Loll, B, Ye, S, Berger, A.A, Muelow, U, Alings, C, Wahl, M.C, Koksch, B.
Deposit date:2015-02-06
Release date:2015-06-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Fluorine teams up with water to restore inhibitor activity to mutant BPTI.
Chem Sci, 6, 2015
7QIS
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BU of 7qis by Molmil
CRYSTAL STRUCTURE OF THE P1 difluoroethylglycine (DfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX
Descriptor: Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ...
Authors:Dimos, N, Leppkes, J, Koksch, B, Wahl, M.C, Loll, B.
Deposit date:2021-12-15
Release date:2022-03-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Fluorine-induced polarity increases inhibitory activity of BPTI towards chymotrypsin.
Rsc Chem Biol, 3, 2022
7QIT
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BU of 7qit by Molmil
CRYSTAL STRUCTURE OF THE P1 trifluoroethylglycine (TfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX
Descriptor: Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ...
Authors:Dimos, N, Leppkes, J, Koksch, B, Wahl, M.C, Loll, B.
Deposit date:2021-12-15
Release date:2022-03-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Fluorine-induced polarity increases inhibitory activity of BPTI towards chymotrypsin.
Rsc Chem Biol, 3, 2022
7QIQ
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BU of 7qiq by Molmil
CRYSTAL STRUCTURE OF THE P1 aminobutanoic acid (ABU) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX
Descriptor: Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ...
Authors:Dimos, N, Leppkes, J, Koksch, B, Wahl, M.C, Loll, B.
Deposit date:2021-12-15
Release date:2022-03-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fluorine-induced polarity increases inhibitory activity of BPTI towards chymotrypsin.
Rsc Chem Biol, 3, 2022
7QIR
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BU of 7qir by Molmil
CRYSTAL STRUCTURE OF THE P1 monofluorethylglycine(MfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX
Descriptor: Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ...
Authors:Dimos, N, Leppkes, J, Koksch, B, Wahl, M.C, Loll, B.
Deposit date:2021-12-15
Release date:2022-03-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fluorine-induced polarity increases inhibitory activity of BPTI towards chymotrypsin.
Rsc Chem Biol, 3, 2022
5JBT
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BU of 5jbt by Molmil
Mesotrypsin in complex with cleaved amyloid precursor like protein 2 inhibitor (APLP2)
Descriptor: Amyloid-like protein 2, CALCIUM ION, PRSS3 protein, ...
Authors:Kayode, O, Wang, R, Pendlebury, D, Soares, A, Radisky, E.S.
Deposit date:2016-04-13
Release date:2016-11-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:An Acrobatic Substrate Metamorphosis Reveals a Requirement for Substrate Conformational Dynamics in Trypsin Proteolysis.
J. Biol. Chem., 291, 2016
3OTJ
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BU of 3otj by Molmil
A Crystal Structure of Trypsin Complexed with BPTI (Bovine Pancreatic Trypsin Inhibitor) by X-ray/Neutron Joint Refinement
Descriptor: CALCIUM ION, Cationic trypsin, Pancreatic trypsin inhibitor, ...
Authors:Kawamura, K, Yamada, T, Kurihara, K, Tamada, T, Kuroki, R, Tanaka, I, Takahashi, H, Niimura, N.
Deposit date:2010-09-12
Release date:2011-01-26
Last modified:2017-11-08
Method:NEUTRON DIFFRACTION (2.15 Å), X-RAY DIFFRACTION
Cite:X-ray and neutron protein crystallographic analysis of the trypsin-BPTI complex.
Acta Crystallogr.,Sect.D, 67, 2011
3P92
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BU of 3p92 by Molmil
Human mesotrypsin complexed with bovine pancreatic trypsin inhibitor variant (BPTI-K15R/R17G)
Descriptor: CALCIUM ION, PRSS3 protein, Pancreatic trypsin inhibitor
Authors:Salameh, M.A, Soares, A.S, Radisky, E.S.
Deposit date:2010-10-15
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5992 Å)
Cite:The P2' residue is a key determinant of mesotrypsin specificity: engineering a high-affinity inhibitor with anticancer activity.
Biochem.J., 440, 2011
3P95
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BU of 3p95 by Molmil
Human mesotrypsin complexed with bovine pancreatic trypsin inhibitor variant (BPTI-K15R/R17D)
Descriptor: CALCIUM ION, PRSS3 protein, Pancreatic trypsin inhibitor
Authors:Salameh, M.A, Soares, A.S, Radisky, E.S.
Deposit date:2010-10-15
Release date:2011-08-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.2991 Å)
Cite:The P2' residue is a key determinant of mesotrypsin specificity: engineering a high-affinity inhibitor with anticancer activity.
Biochem.J., 440, 2011

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