8IJX
| 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
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8IJW
| 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
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7DBJ
| 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
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7DBK
| 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
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6AKG
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6AKF
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6AKE
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4HL0
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2ZDT
| 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
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5TNH
| 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
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5TNS
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5TNF
| 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
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5TNQ
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5TNJ
| 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
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5TNN
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5TNK
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5TNL
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5TND
| 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
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5TNE
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5TNM
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5TNP
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5TNI
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5TNG
| 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
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5TNR
| 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
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2ZDU
| 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
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