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PDB: 322 results

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: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
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: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: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: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: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: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: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: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
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
6INW
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BU of 6inw by Molmil
A Pericyclic Reaction enzyme
Descriptor: O-methyltransferase lepI, S-ADENOSYLMETHIONINE
Authors:Feng, Y, Chang, M, Wang, H, Liu, Z, Zhou, Y.
Deposit date:2018-10-28
Release date:2019-07-03
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Crystal structure of the multifunctional SAM-dependent enzyme LepI provides insights into its catalytic mechanism.
Biochem.Biophys.Res.Commun., 515, 2019
3BV9
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BU of 3bv9 by Molmil
Structure of Thrombin Bound to the Inhibitor FM19
Descriptor: FM19 inhibitor, GLYCEROL, IODIDE ION, ...
Authors:Nieman, M.T, Burke, F, Warnock, M, Zhou, Y, Sweigert, J, Chen, A, Ricketts, D, Lucchesi, B.R, Chen, Z, Di Cera, E, Hilfinger, J, Mosberg, H.I, Schmaier, A.H.
Deposit date:2008-01-05
Release date:2008-03-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Thrombostatin FM compounds: direct thrombin inhibitors - mechanism of action in vitro and in vivo.
J.Thromb.Haemost., 6, 2008
5N16
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BU of 5n16 by Molmil
First Bromodomain (BD1) from Candida albicans Bdf1 bound to a dibenzothiazepinone (compound 1)
Descriptor: 5-cyclopropyl-2-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)benzo[b][1,4]benzothiazepin-6-one, Bromodomain-containing factor 1, GLYCEROL, ...
Authors:Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
Deposit date:2017-02-05
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
5N13
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BU of 5n13 by Molmil
Second Bromodomain (BD2) from Candida albicans Bdf1 in the unbound form
Descriptor: Bromodomain-containing factor 1, GLYCEROL
Authors:Mietton, F, Ferri, E, Champlebouxm, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
Deposit date:2017-02-04
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
5N17
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BU of 5n17 by Molmil
First Bromodomain (BD1) from Candida albicans Bdf1 bound to a dibenzothiazepinone (compound 3)
Descriptor: (2~{S})-~{N}-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)oxolane-2-carboxamide, Bromodomain-containing factor 1, SULFATE ION
Authors:Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvon, M, d'Enfer, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
Deposit date:2017-02-05
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
7CZ5
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BU of 7cz5 by Molmil
Cryo-EM structure of the human growth hormone-releasing hormone receptor-Gs protein complex
Descriptor: CHOLESTEROL, Growth hormone-releasing hormone receptor,growth hormone-releasing hormone receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Zhou, F, Zhang, H, Cong, Z, Zhao, L, Zhou, Q, Mao, C, Cheng, X, Shen, D, Cai, X, Ma, C, Wang, Y, Dai, A, Zhou, Y, Sun, W, Zhao, F, Zhao, S, Jiang, H, Jiang, Y, Yang, D, Xu, H.E, Zhang, Y, Wang, M.
Deposit date:2020-09-07
Release date:2020-11-18
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis for activation of the growth hormone-releasing hormone receptor.
Nat Commun, 11, 2020
7D68
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BU of 7d68 by Molmil
Cryo-EM structure of the human glucagon-like peptide-2 receptor-Gs protein complex
Descriptor: Glucagon-like peptide 2 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Sun, W, Chen, L, Zhou, Q, Zhao, L, Zhang, H, Cong, Z, Shen, D, Zhao, F, Zhou, F, Cai, X, Chen, Y, Zhou, Y, Gadgaard, S, van der Velden, W.J, Zhao, S, Jiang, Y, Rosenkilde, M.M, Yang, D, Xu, H.E, Zhang, Y, Wang, M.
Deposit date:2020-09-29
Release date:2020-12-16
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A unique hormonal recognition feature of the human glucagon-like peptide-2 receptor.
Cell Res., 30, 2020
5N18
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BU of 5n18 by Molmil
Second Bromodomain (BD2) from Candida albicans Bdf1 bound to an imidazopyridine (compound 2)
Descriptor: 4-[8-methyl-3-[(4-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenol, Bromodomain-containing factor 1, GLYCEROL
Authors:Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
Deposit date:2017-02-05
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
5N15
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BU of 5n15 by Molmil
First Bromodomain (BD1) from Candida albicans Bdf1 in the unbound form
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bromodomain-containing factor 1, GLYCEROL, ...
Authors:Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
Deposit date:2017-02-05
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017

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