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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:2024-10-30
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:2024-10-30
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:2024-10-30
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:2024-11-20
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:2024-11-20
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:2024-10-30
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:2024-11-13
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:2024-10-16
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:2024-10-30
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:2024-11-20
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:2024-11-20
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:2024-10-30
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:2024-11-20
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
3RXV
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BU of 3rxv by Molmil
Crystal structure of Trypsin complexed with benzamide (F05 and F03, 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:2024-10-16
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
3RXE
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BU of 3rxe by Molmil
Crystal structure of Trypsin complexed with benzamide
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:2024-10-30
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
3RXR
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BU of 3rxr by Molmil
Crystal structure of Trypsin complexed with cycloheptanamine (F01 and F03, cocktail experiment)
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:2024-10-30
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3RXS
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BU of 3rxs by Molmil
Crystal structure of Trypsin complexed with (3-methoxyphenyl)methanamine (F04 and A06, 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:2024-11-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
8Y2S
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BU of 8y2s by Molmil
P-hydroxybenzoate hydroxylase complexed with 4-hydroxy-3-methylbenzoic acid
Descriptor: 3-methyl-4-oxidanyl-benzoic acid, 4-hydroxybenzoate 3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Hara, K, Hashimoto, H, Matsushita, T, Kishimoto, S, Watanabe, K.
Deposit date:2024-01-27
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Functional Enhancement of Flavin-Containing Monooxygenase through Machine Learning Methodology
Acs Catalysis, 14, 2024
3ATK
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BU of 3atk by Molmil
Crystal structure of trypsin complexed with cycloheptanamine
Descriptor: CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2011-01-05
Release date:2011-08-24
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3ATI
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BU of 3ati 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, Tanaka, I.
Deposit date:2011-01-05
Release date:2011-08-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3ATM
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BU of 3atm 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, Tanaka, I.
Deposit date:2011-01-05
Release date:2011-08-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3ATL
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BU of 3atl by Molmil
Crystal structure of trypsin complexed with benzamidine
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2011-01-05
Release date:2011-08-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
6FSB
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BU of 6fsb by Molmil
Influenza B/Memphis/13/03 endonuclease with I38T mutation
Descriptor: MAGNESIUM ION, MANGANESE (II) ION, Polymerase acidic protein
Authors:Cusack, S, Speranzini, V.
Deposit date:2018-02-19
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Characterization of influenza virus variants induced by treatment with the endonuclease inhibitor baloxavir marboxil.
Sci Rep, 8, 2018
6FS8
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BU of 6fs8 by Molmil
Influenza B/Memphis/13/03 endonuclease with bound inhibitor, baloxavir acid (BXA)
Descriptor: Baloxavir acid, MANGANESE (II) ION, Polymerase acidic protein
Authors:Cusack, S, Speranzini, V.
Deposit date:2018-02-19
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Characterization of influenza virus variants induced by treatment with the endonuclease inhibitor baloxavir marboxil.
Sci Rep, 8, 2018
6FS6
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BU of 6fs6 by Molmil
Influenza A/California/04/2009 (pH1N1) endonuclease with bound inhibitor, baloxavir acid (BXA)
Descriptor: Baloxavir acid, MANGANESE (II) ION, Polymerase acidic protein,Polymerase acidic protein
Authors:Cusack, S, Speranzini, V.
Deposit date:2018-02-19
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.291 Å)
Cite:Characterization of influenza virus variants induced by treatment with the endonuclease inhibitor baloxavir marboxil.
Sci Rep, 8, 2018

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