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5JB7
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BU of 5jb7 by Molmil
A simplified BPTI variant containing 24 alanines out of 58 residues
Descriptor: Pancreatic trypsin inhibitor, SULFATE ION
Authors:Islam, M.M.
Deposit date:2016-04-13
Release date:2017-04-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of highly simplified BPTIs provide insights into hydration-driven increase of unfolding enthalpy
Sci Rep, 7, 2017
2O9Q
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BU of 2o9q by Molmil
The crystal structure of Bovine Trypsin complexed with a small inhibition peptide ORB2K
Descriptor: CALCIUM ION, Cationic trypsin, ORB2K, ...
Authors:Li, J, Zhang, C, Xu, X, Wang, J, Gong, W, Lai, R.
Deposit date:2006-12-14
Release date:2007-12-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:From protease inhibitor to antibiotics: single point mutation makes tremendous functional shift
To be Published
4TTK
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BU of 4ttk by Molmil
Racemic structure of Sunflower Trypsin Inhibitor-1 (SFTI-1)
Descriptor: Sunflower Trypsin Inhibitor-1 (SFTI-1) (D-form)
Authors:Wang, C.K, King, G.J, Craik, D.J.
Deposit date:2014-06-22
Release date:2014-09-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.2502 Å)
Cite:Racemic and Quasi-Racemic X-ray Structures of Cyclic Disulfide-Rich Peptide Drug Scaffolds.
Angew.Chem.Int.Ed.Engl., 53, 2014
6CS1
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BU of 6cs1 by Molmil
SARS Spike Glycoprotein, Trypsin-cleaved, Stabilized variant, two S1 CTDs in an upwards conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin, ...
Authors:Kirchdoerfer, R.N, Wang, N, Pallesen, J, Turner, H.L, Cottrell, C.A, McLellan, J.S, Ward, A.B.
Deposit date:2018-03-19
Release date:2018-04-11
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Stabilized coronavirus spikes are resistant to conformational changes induced by receptor recognition or proteolysis.
Sci Rep, 8, 2018
6CS0
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BU of 6cs0 by Molmil
SARS Spike Glycoprotein, Trypsin-cleaved, Stabilized variant, one S1 CTD in an upwards conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin, ...
Authors:Kirchdoerfer, R.N, Wang, N, Pallesen, J, Turner, H.L, Cottrell, C.A, McLellan, J.S, Ward, A.B.
Deposit date:2018-03-19
Release date:2018-04-11
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Stabilized coronavirus spikes are resistant to conformational changes induced by receptor recognition or proteolysis.
Sci Rep, 8, 2018
6CRZ
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BU of 6crz by Molmil
SARS Spike Glycoprotein, Trypsin-cleaved, Stabilized variant, C3 symmetry
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin, ...
Authors:Kirchdoerfer, R.N, Wang, N, Pallesen, J, Turner, H.L, Cottrell, C.A, McLellan, J.S, Ward, A.B.
Deposit date:2018-03-19
Release date:2018-04-11
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Stabilized coronavirus spikes are resistant to conformational changes induced by receptor recognition or proteolysis.
Sci Rep, 8, 2018
4K1E
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BU of 4k1e by Molmil
Atomic resolution crystal structures of Kallikrein-Related Peptidase 4 complexed with a modified SFTI inhibitor FCQR
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Kallikrein-4, LITHIUM ION, ...
Authors:Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M.
Deposit date:2013-04-04
Release date:2014-04-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics
Sci Rep, 6, 2016
4KEL
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BU of 4kel by Molmil
Atomic resolution crystal structure of Kallikrein-Related Peptidase 4 complexed with a modified SFTI inhibitor FCQR(N)
Descriptor: Kallikrein-4, Trypsin inhibitor 1
Authors:Ilyichova, O.V, Swedberg, J.E, de Veer, S.J, Sit, K.C, Harris, J.M, Buckle, A.M.
Deposit date:2013-04-25
Release date:2014-04-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.148 Å)
Cite:KLK4 Inhibition by Cyclic and Acyclic Peptides: Structural and Dynamical Insights into Standard-Mechanism Protease Inhibitors.
Biochemistry, 58, 2019
3RXD
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BU of 3rxd by Molmil
Crystal structure of Trypsin complexed with (3-methoxyphenyl)methanamine
Descriptor: 1-(3-methoxyphenyl)methanamine, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
Deposit date:2011-05-10
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXM
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BU of 3rxm by Molmil
Crystal structure of Trypsin complexed with [2-(2-thienyl)thiazol-4-yl]methanamine
Descriptor: 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
Deposit date:2011-05-10
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXB
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BU of 3rxb by Molmil
Crystal structure of Trypsin complexed with 4-guanidinobutanoic acid
Descriptor: 4-carbamimidamidobutanoic acid, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
Deposit date:2011-05-10
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXP
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BU of 3rxp by Molmil
Crystal structure of Trypsin complexed with (1,5-dimethylpyrazol-3-yl)methanamine
Descriptor: 1-(1,5-dimethyl-1H-pyrazol-3-yl)methanamine, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
Deposit date:2011-05-10
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXH
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BU of 3rxh by Molmil
Crystal structure of Trypsin complexed with 2-(1H-imidazol-4-yl)ethanamine
Descriptor: CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ...
Authors:Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
Deposit date:2011-05-10
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXF
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BU of 3rxf by Molmil
Crystal structure of Trypsin complexed with 4-aminopyridine
Descriptor: 4-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
Deposit date:2011-05-10
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXG
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BU of 3rxg by Molmil
Crystal structure of Trypsin complexed with 4-aminocyclohexanol
Descriptor: CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ...
Authors:Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
Deposit date:2011-05-10
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXT
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BU of 3rxt by Molmil
Crystal structure of Trypsin complexed with (3-methoxyphenyl)methanamin (F04 and F03, cocktail experiment)
Descriptor: 1-(3-methoxyphenyl)methanamine, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
Deposit date:2011-05-10
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXC
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BU of 3rxc by Molmil
Crystal structure of Trypsin complexed with 2-aminopyridine
Descriptor: 2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
Deposit date:2011-05-10
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXQ
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BU of 3rxq by Molmil
Crystal structure of Trypsin complexed with benzamide (F01 and F05, cocktail experiment)
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
Deposit date:2011-05-10
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXJ
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BU of 3rxj by Molmil
Crystal structure of Trypsin complexed with 4-guanidinobenzoic acid
Descriptor: 4-carbamimidamidobenzoic acid, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
Deposit date:2011-05-10
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXU
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BU of 3rxu by Molmil
Crystal structure of Trypsin complexed with benzamide (F05 and A06, cocktail experiment)
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
Deposit date:2011-05-10
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXO
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BU of 3rxo by Molmil
Crystal structure of Trypsin complexed with (3-pyrrol-1-ylphenyl)methanamine
Descriptor: 1-[3-(1H-pyrrol-1-yl)phenyl]methanamine, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
Deposit date:2011-05-10
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXI
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BU of 3rxi by Molmil
Crystal structure of Trypsin complexed with 2-(1H-indol-3-yl)ethanamine
Descriptor: 2-(1H-INDOL-3-YL)ETHANAMINE, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
Deposit date:2011-05-10
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXL
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BU of 3rxl by Molmil
Crystal structure of Trypsin complexed with (2,5-dimethyl-3-furyl)methanamine
Descriptor: 1-(2,5-dimethylfuran-3-yl)methanamine, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
Deposit date:2011-05-10
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXA
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BU of 3rxa by Molmil
Crystal structure of Trypsin complexed with cycloheptanamine
Descriptor: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
Authors:Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
Deposit date:2011-05-10
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXK
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BU of 3rxk by Molmil
Crystal structure of Trypsin complexed with methyl 4-amino-1-methyl-pyrrolidine-2-carboxylate
Descriptor: CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ...
Authors:Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
Deposit date:2011-05-10
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011

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