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8IJX
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BU of 8ijx by Molmil
Cryo-EM structure of the gastric proton pump with bound DQ-18
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[4-[(5-chloranyl-2-phenylmethoxy-phenyl)methoxy]phenyl]-N-methyl-methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Abe, K, Yokoshima, S, Yoshimori, A.
Deposit date:2023-02-28
Release date:2023-08-30
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (2.08 Å)
Cite:Deep learning driven de novo drug design based on gastric proton pump structures.
Commun Biol, 6, 2023
8IJW
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BU of 8ijw by Molmil
Cryo-EM structure of the gastric proton pump with bound DQ-06
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
Authors:Abe, K, Yokoshima, S, Yoshimori, A.
Deposit date:2023-02-28
Release date:2023-08-30
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (2.19 Å)
Cite:Deep learning driven de novo drug design based on gastric proton pump structures.
Commun Biol, 6, 2023
7DBJ
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BU of 7dbj by Molmil
Crystal structure of human LDHB in complex with NADH, oxamate, and AXKO-0046
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase B chain, ...
Authors:Sogabe, S, Miwa, M.
Deposit date:2020-10-20
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Identification of the first highly selective inhibitor of human lactate dehydrogenase B.
Sci Rep, 11, 2021
7DBK
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BU of 7dbk by Molmil
Crystal structure of human LDHB in complex with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-lactate dehydrogenase B chain
Authors:Sogabe, S, Miwa, M.
Deposit date:2020-10-20
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Identification of the first highly selective inhibitor of human lactate dehydrogenase B.
Sci Rep, 11, 2021
6AKG
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BU of 6akg by Molmil
Crystal structure of mouse claudin-3 P134G mutant in complex with C-terminal fragment of Clostridium perfringens enterotoxin
Descriptor: Claudin-3, Heat-labile enterotoxin B chain
Authors:Nakamura, S, Irie, K, Fujiyoshi, Y.
Deposit date:2018-08-31
Release date:2019-02-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:Morphologic determinant of tight junctions revealed by claudin-3 structures.
Nat Commun, 10, 2019
6AKF
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BU of 6akf by Molmil
Crystal structure of mouse claudin-3 P134A mutant in complex with C-terminal fragment of Clostridium perfringens enterotoxin
Descriptor: Claudin-3, Heat-labile enterotoxin B chain
Authors:Nakamura, S, Irie, K, Fujiyoshi, Y.
Deposit date:2018-08-31
Release date:2019-02-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Morphologic determinant of tight junctions revealed by claudin-3 structures.
Nat Commun, 10, 2019
6AKE
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BU of 6ake by Molmil
Crystal structure of mouse claudin-3 in complex with C-terminal fragment of Clostridium perfringens enterotoxin
Descriptor: Claudin-3, Heat-labile enterotoxin B chain
Authors:Nakamura, S, Irie, K, Fujiyoshi, Y.
Deposit date:2018-08-31
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Morphologic determinant of tight junctions revealed by claudin-3 structures.
Nat Commun, 10, 2019
4HL0
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BU of 4hl0 by Molmil
Crystal structure of full-length Toxascaris leonina galectin
Descriptor: galectin
Authors:Jeong, M.S.
Deposit date:2012-10-15
Release date:2013-02-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of full-length Toxascaris leonina galectin with two carbohydrate-recognition domains.
Acta Crystallogr.,Sect.D, 69, 2013
2ZDT
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BU of 2zdt by Molmil
Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor
Descriptor: 4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-2(1H)-yl)methyl]benzoic acid, GLYCEROL, Mitogen-activated protein kinase 10
Authors:Sogabe, S, Asano, Y, Fukumoto, S, Habuka, N, Fujishima, A.
Deposit date:2007-11-27
Release date:2008-09-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (2)
Bioorg.Med.Chem., 16, 2008
5TNH
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BU of 5tnh by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 17,18-EpETE hydrolysis intermediate
Descriptor: (5Z,8Z,11Z,14Z,17R,18R)-17,18-dihydroxyicosa-5,8,11,14-tetraenoic acid, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNS
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BU of 5tns by Molmil
Crystal structure of the D129S mutant of the CFTR inhibitory factor Cif containing 1,2-Epoxycyclohexane
Descriptor: (1R,6S)-7-oxabicyclo[4.1.0]heptane, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNF
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BU of 5tnf by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 19,20-EpDPE hydrolysis intermediate
Descriptor: (4Z,7Z,10Z,13Z,16Z,19R,20R)-19,20-dihydroxydocosa-4,7,10,13,16-pentaenoic acid, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNQ
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BU of 5tnq by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted (R)-Styrene oxide hydrolysis intermediate
Descriptor: (1R)-1-phenylethane-1,2-diol, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNJ
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BU of 5tnj by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 4-Vinyl-1-cyclohexene 1,2-epoxide hydrolysis intermediate
Descriptor: (1R,2R,4R)-4-ethenylcyclohexane-1,2-diol, (1R,2R,4S)-4-ethenylcyclohexane-1,2-diol, (1S,2S,4R)-4-ethenylcyclohexane-1,2-diol, ...
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNN
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BU of 5tnn by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted (S)-1,2-Epoxyoctane hydrolysis intermediate
Descriptor: (2R)-octane-1,2-diol, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNK
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BU of 5tnk by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 1,2-Epoxyoctane hydrolysis intermediate
Descriptor: (2R)-octane-1,2-diol, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNL
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BU of 5tnl by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted (S)-1,2-Epoxyhexane hydrolysis intermediate
Descriptor: (2R)-hexane-1,2-diol, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TND
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BU of 5tnd by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 1,2-Epoxycyclohexane hydrolysis intermediate
Descriptor: (1R,2R)-cyclohexane-1,2-diol, (1S,2S)-cyclohexane-1,2-diol, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNE
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BU of 5tne by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted cis-Stilbene Oxide hydrolysis intermediate
Descriptor: (1R,2R)-1,2-diphenylethane-1,2-diol, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNM
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BU of 5tnm by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted (R)-1,2-Epoxyoctane hydrolysis intermediate
Descriptor: (2R)-octane-1,2-diol, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNP
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BU of 5tnp by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted Styrene oxide hydrolysis intermediate
Descriptor: (1R)-1-phenylethane-1,2-diol, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNI
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BU of 5tni by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted S-Styrene oxide hydrolysis intermediate
Descriptor: (1R)-1-phenylethane-1,2-diol, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNG
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BU of 5tng by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 14,15-EpETE hydrolysis intermediate
Descriptor: (5Z,8Z,11Z,14R,15R,17Z)-14,15-dihydroxyicosa-5,8,11,17-tetraenoic acid, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNR
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BU of 5tnr by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 16,17-EpDPE hydrolysis intermediate
Descriptor: (4Z,7Z,10Z,13Z,16R,17R,19Z)-16,17-dihydroxydocosa-4,7,10,13,19-pentaenoic acid, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
2ZDU
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BU of 2zdu by Molmil
Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor
Descriptor: 4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1H)-yl]methyl}phenyl)amino]-4-oxobutanoic acid, Mitogen-activated protein kinase 10
Authors:Sogabe, S, Ohra, T, Itoh, F, Habuka, N, Fujishima, A.
Deposit date:2007-11-27
Release date:2008-09-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (1)
Bioorg.Med.Chem., 16, 2008

223532

數據於2024-08-07公開中

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