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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
6TVU
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BU of 6tvu by Molmil
Structure of native gp41 derived peptide fusion inhibitor
Descriptor: Env polyprotein (Fragment), Transmembrane protein gp41
Authors:Huhmann, S, Nyakatura, E.K, Rohrhofer, A, Schmidt, B, Eichler, J, Moschner, J, Roth, C, Koksch, B.
Deposit date:2020-01-10
Release date:2021-01-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Systematic Evaluation of Fluorination as Modification for Peptide-Based Fusion Inhibitors against HIV-1 Infection.
Chembiochem, 22, 2021
6TVW
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BU of 6tvw by Molmil
Structure of native gp41 derived peptide fusion inhibitor
Descriptor: (2~{S},3~{S})-2-azanyl-5,5,5-tris(fluoranyl)-3-methyl-pentanal, ASN-ASN-TYR-THR-SER-LEU-ILE-HIS-SER-LEU-ILE-GLU-GLU, Envelope glycoprotein, ...
Authors:Huhmann, S, Nyakatura, E.K, Rohrhofer, A, Schmidt, B, Eichler, J, Moschner, J, Roth, C, Koksch, B.
Deposit date:2020-01-10
Release date:2021-01-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Systematic Evaluation of Fluorination as Modification for Peptide-Based Fusion Inhibitors against HIV-1 Infection.
Chembiochem, 22, 2021
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
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
7Z3S
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BU of 7z3s by Molmil
CRYSTAL STRUCTURE of PheF from Geobacillus stearothermophilus
Descriptor: Acetaldehyde dehydrogenase, PHOSPHATE ION
Authors:Driller, R, Haack, M, Brueck, T, Loll, B.
Deposit date:2022-03-02
Release date:2023-01-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:CRYSTAL STRUCTURE OF THE P1 trifluoroethylglycine (TfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX
To Be Published
6TVQ
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BU of 6tvq by Molmil
Structure of native gp41 derived peptide fusion inhibitor
Descriptor: Env polyprotein (Fragment), Envelope glycoprotein gp160
Authors:Huhmann, S, Nyakatura, E.K, Rohrhofer, A, Schmidt, B, Eichler, J, Moschner, J, Roth, C.
Deposit date:2020-01-10
Release date:2021-01-27
Last modified:2023-07-19
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Systematic Evaluation of Fluorination as Modification for Peptide-Based Fusion Inhibitors against HIV-1 Infection.
Chembiochem, 22, 2021

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PDB entries from 2024-03-27

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